ChemicalBook >> CAS DataBase List >>4,5-DIMETHYL-4H-(1,2,4)TRIOZOLE-3-THIOL

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

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;4,5-DIMETHYL-4H-(1,2,4)TRIOZOLE-3-THIOL;3,4-dimethyl-1H-1,2,4-triazole-5-thione;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:2026-05-27 22:52:10
Product description Number Pack Size Price
4,5-Dimethyl-4H-1,2,4-triazole-3-thiol >99% OR59837 100mg $21
4,5-Dimethyl-4H-1,2,4-triazole-3-thiol >99% OR59837 250mg $29
4,5-Dimethyl-4H-1,2,4-triazole-3-thiol >99% OR59837 1g $67
4,5-Dimethyl-4H-1,2,4-triazole-3-thiol >99% OR59837 5g $282
4,5-Dimethyl-4H-1,2,4-triazole-3-thiol >99% OR59837 25g $1348

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(44)

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

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

Global( 68)Suppliers
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Alchem Pharmtech,Inc.
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View Lastest 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 2025-12-01 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-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 4,5-DIMETHYL-4H-(1,2,4)TRIOZOLE-3-THIOL 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 38942-50-6 THIOL Pyrazoles & Triazoles Pyrazoles & Triazoles