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ChemicalBook >> CAS DataBase List >>4,5-Dimethyl-4H-(1,2,4)triozole-3-thiol

4,5-Dimethyl-4H-(1,2,4)triozole-3-thiol

4,5-Dimethyl-4H-(1,2,4)triozole-3-thiol Structure
4,5-Dimethyl-4H-(1,2,4)triozole-3-thiol structure
CAS No.
38942-50-6
Chemical Name:
4,5-Dimethyl-4H-(1,2,4)triozole-3-thiol
Synonyms
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4,5-dimethyl-;dimethyl-4H-1,2,4-triazole-3-thiol;3,4-Dimethyl-1H-1,2,4-triazole-5(4H);3,4-Dimethyl-4H-1,2,4-triazole-5-thiol;3,4-dimethyl-1H-1,2,4-triazole-5-thione;4,5-Dimethyl-4H-(1,2,4)triozole-3-thiol;4H-1,2,4-Triazole-3-thiol, 4,5-dimethyl-;4,5-Dimethyl-3-mercapto-4H-1,2,4-triazole;4,5-Dimethyl-2H-1,2,4-triazole-3(4H)-thione;3,4-Dimethyl-1H-1,2,4-triazole-5(4H)-thione
CBNumber:
CB0479060
Molecular Formula:
C4H7N3S
Molecular Weight:
129.18
MDL Number:
MFCD01678503
MOL File:
38942-50-6.mol
MSDS File:
SDS
Last updated:2026-09-12 18:48:21
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4,5-Dimethyl-4H-(1,2,4)triozole-3-thiol Properties

Melting point 210 °C(Solv: ethanol (64-17-5))
Boiling point 150.5±23.0 °C(Predicted)
Density 1.35±0.1 g/cm3(Predicted)
storage temp. Inert atmosphere,Room Temperature
pka 9.80±0.20(Predicted)
Appearance White to off-white Solid
Sensitive Stench
InChI InChI=1S/C4H7N3S/c1-3-5-6-4(8)7(3)2/h1-2H3,(H,6,8)
InChIKey OTVCBBXLGYYSNC-UHFFFAOYSA-N
SMILES N1=C(C)N(C)C(S)=N1
EWG's Food Scores 1
FDA UNII A87ZS87LEU

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
Hazard Codes  Xi
HS Code  2933998090

4,5-Dimethyl-4H-(1,2,4)triozole-3-thiol price More Price(37)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Apolloscientific OR59837 4,5-Dimethyl-4H-1,2,4-triazole-3-thiol >99% 38942-50-6 100mg $21 2026-06-04 Buy
Apolloscientific OR59837 4,5-Dimethyl-4H-1,2,4-triazole-3-thiol >99% 38942-50-6 250mg $29 2026-06-04 Buy
Apolloscientific OR59837 4,5-Dimethyl-4H-1,2,4-triazole-3-thiol >99% 38942-50-6 1g $67 2026-06-04 Buy
Apolloscientific OR59837 4,5-Dimethyl-4H-1,2,4-triazole-3-thiol >99% 38942-50-6 5g $282 2026-06-04 Buy
Apolloscientific OR59837 4,5-Dimethyl-4H-1,2,4-triazole-3-thiol >99% 38942-50-6 25g $1348 2026-06-04 Buy
Product number Packaging Price Buy
OR59837 100mg $21 Buy
OR59837 250mg $29 Buy
OR59837 1g $67 Buy
OR59837 5g $282 Buy
OR59837 25g $1348 Buy

4,5-Dimethyl-4H-(1,2,4)triozole-3-thiol Chemical Properties, Uses, Production

Synthesis

Acethydrazide

1068-57-1

Methyl isothiocyanate

556-61-6

4,5-DIMETHYL-4H-(1,2,4)TRIOZOLE-3-THIOL

38942-50-6

Acetylhydrazine (7.4 g, 100 mmol) was dissolved in ethanol (75 mL) in a 200 mL three-necked round-bottomed flask equipped with a magnetic stir bar and reflux condenser. To this solution was slowly added a solution of methyl isothiocyanate (7.3 g, 100 mmol) in ethanol (75 mL). The reaction mixture was stirred at reflux for 6 hours under nitrogen protection. After completion of the reaction, it was cooled to room temperature and the solvent was removed by rotary evaporator. The resulting wet solid was ground with ether and filtered to give a viscous yellow solid. This solid was further ground with hot dichloromethane/ethyl acetate (1:1, v/v) solvent mixture to give a white solid of the uncyclized intermediate. All the reaction related solids and liquids were combined and redissolved in ethanol. 1 M aqueous sodium hydroxide solution (50 mL) was added and refluxed for 1 h under nitrogen protection. The reaction solution was acidified to pH 4-5 with acetic acid and subsequently cooled in an ice bath to promote precipitation. The white solid formed was collected by filtration and washed with ether (the mother liquor was repeated the crystallization process three times). All collected solids were combined and purified by silica gel column chromatography with an eluent of 14% methanol/ethyl acetate. The collected target fractions were concentrated, washed with ether and filtered to give 5.02 g (38.9% yield) of 3,4-dimethyl-1H-1,2,4-triazole-5(4H)-thione. The product was characterized by 1H NMR (DMSO-d6): δ 2.27 (s, 3H), 3.37 (s, 3H), 13.36 (wide s, 1H). Mass spectrometry (APCI) analysis: calculated value of C4H7N3S was 129.18; measured value (M+H+) was 130.0.

References

[1] Patent: US2005/176701, 2005, A1. Location in patent: Page/Page column 214

4,5-Dimethyl-4H-(1,2,4)triozole-3-thiol Preparation Products And Raw materials

Raw materials

Acethydrazide Methyl isothiocyanate Water Sodium hydroxide Ethanol

Preparation Products

4,5-Dimethyl-4H-(1,2,4)triozole-3-thiol Suppliers

Global Suppliers ( 65)
Supplier Tel Email Country ProdList Advantage
Tianjin Englon Technology Co., LTD 010-010-1234567 17526513758 2062435649@qq.com China 97 49
J & K SCIENTIFIC LTD. 18210857532 18210857532 jkinfo@jkchemical.com China 96815 76
Wuhan ariel chemical Co., LTD. 18986259541 18986259541 sales@3stc.com China 3832 58
9ding chemical ( Shanghai) Limited 4009209199 sales@9dingchem.com China 18201 56
Wuhan Kaymke Chemical Co., Ltd., 027-87342388 18086026008 sales@kaymke.com China 3539 55
Changzhou Hopschain Chemical Co.,Ltd. 85528066 13775048983 sales@hopschem.com China 31548 55
Amadis Chemical Company Limited 571-89925085 sales@amadischem.com China 131885 58
Nanjing BAM Biomedical Technology Co., Ltd. 18066080842 13952020641 bamd@foxmail.com China 775 55
Aikon International Limited 025-58851090 13913916777 sales01@aikonchem.com China 15947 58
Beijing Kemik-Chem Co. Ltd. 010-56130310 15313443500 2287305912@qq.com China 272 58
Supplier Advantage
Tianjin Englon Technology Co., LTD 49
J & K SCIENTIFIC LTD. 76
Wuhan ariel chemical Co., LTD. 58
9ding chemical ( Shanghai) Limited 56
Wuhan Kaymke Chemical Co., Ltd., 55
Changzhou Hopschain Chemical Co.,Ltd. 55
Amadis Chemical Company Limited 58
Nanjing BAM Biomedical Technology Co., Ltd. 55
Aikon International Limited 58
Beijing Kemik-Chem Co. Ltd. 58

View Latest Price from 4,5-Dimethyl-4H-(1,2,4)triozole-3-thiol manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
4,5-DIMETHYL-4H-(1,2,4)TRIOZOLE-3-THIOL pictures 2026-06-30 4,5-DIMETHYL-4H-(1,2,4)TRIOZOLE-3-THIOL
38942-50-6
 1kg 99% 10000KGS Shaanxi Dideu New Materials Co. Ltd

4,5-Dimethyl-4H-(1,2,4)triozole-3-thiol Spectrum

4,5-DIMETHYL-4H-(1,2,4)TRIOZOLE-3-THIOL(38942-50-6)1HNMR

38942-50-6 (4,5-Dimethyl-4H-(1,2,4)triozole-3-thiol) Related Search:

4-Methyl-5-(trifluoromethyl)-1,2,4-triazolin-3(2H)-thione 4-Methyl-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol 4-(2-Chloro-phenyl)-5-(4-trifluoromethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol 5-(2-Furyl)-4-methyl-4H-1,2,4-triazole-3-thiol 4-(4-Methoxyphenyl)-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole-3-thiol
4-Allyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol 4-(3-Methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole-3-thiol 4-(4-Chloro-phenyl)-5-(4-trifluoromethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol 5-[(4,5-Dichloroimidazol-1-yl)methyl]-4-methyl-1,2,4-trizole-3-thiol AKOS BBS-00007467
BUTTPARK 64\41-26 4-(4-chlorophenyl)-5-cyclopropyl-4H-1,2,4-triazole-3-thiol AKOS BBS-00007453 3-[4-(tert-Butyl)phenyl]-4-(3-methoxypropyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione 5-(3,4-Dimethoxy-benzyl)-4-(3-trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol
5-(4-Bromo-3,5-dimethylpyrazol-1-ylmethyl)-4-methyl-1,2,4-triazole-3-thiol N'1-(2-Chloroacetyl)-2-((4-(3-methoxypropyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)thio)ethanohydrazide N1-(2-Chlorophenyl)-2-((5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide

1of4

4-triazole-3-thione,2,4-dihydro-4,5-dimethyl-3h-2 2,4-dihydro-4,5-dimethyl-3H-1,2,4-triazole-3-thione 3H-1,2,4-Triazole-3-thione,2,4-dihydro-4,5-dimethyl-(9CI) 3,4-Dimethyl-4H-1,2,4-triazole-5-thiol 4,5-Dimethyl-2H-1,2,4-triazole-3(4H)-thione 4-Methyl-5-methyl-4H-[1,2,3]triazole-3-thiol 4,5-dimethyl-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE) 4,5-Dimethyl-3-mercapto-4H-1,2,4-triazole 4,5-diMethyl-4,5-dihydro-1H-1,2,3-triazole-1-thiol 4,5-Dimethyl-3-mercapto-4H-1,2,4-triazole, 4,5-Dimethyl-3-thio-4H-1,2,4-triazole, 4,5-Dimethyl-3-sulphanyl-4H-1,2,4-triazole dimethyl-4H-1,2,4-triazole-3-thiol 4,5-Dimethyl-2,5-dihydro-1H-1,2,3-triazole-1-thiol 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4,5-dimethyl- 3,4-Dimethyl-1H-1,2,4-triazole-5(4H)-thione 3,4-Dimethyl-1H-1,2,4-triazole-5(4H) 4H-1,2,4-Triazole-3-thiol, 4,5-dimethyl- 3,4-dimethyl-1H-1,2,4-triazole-5-thione 4,5-Dimethyl-4H-(1,2,4)triozole-3-thiol 38942-50-6 THIOL Pyrazoles & Triazoles Pyrazoles & Triazoles