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5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene

5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene structure

CAS No.: 57564-94-0

Chemical Name:: 5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene

Synonyms: NSC 70903;4-chloro-2-(Methylthio)-7H-pyrrolo[2;4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-amine;4-Chloro-2-methylthiopyrrolo[2,3-d]pyrimidine;2-(Methylthio)-4-chloropyrrolo<2,3-d>pyriMidine;4-Chloro-2-(Methylthio)-7H-pyrrolo[2,3-D]pyriMidin;7H-Pyrrolo[2,3-D]pyrimidine, 4-chloro-2-(methylthio)-;4-Chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;Inchi=1/C7H6cln3S/C1-12-7-10-5(8)4-2-3-9-6(4)11-7/H2-3H,1H3,(H,9,10,11;5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]no-2,4,7,10-tetraene

CBNumber:: CB41457962

Molecular Formula:: C7H6ClN3S

Molecular Weight:: 199.66

MDL Number:: MFCD09025769

MOL File:: 57564-94-0.mol

MSDS File:: SDS

Last updated:2026-05-28 02:08:07

Request For Quotation

5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene Properties

Boiling point	342.1±52.0 °C(Predicted)
Density	1.59
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
pka	10.01±0.20(Predicted)
Appearance	Off-white to light yellow Solid
InChI	InChI=1S/C7H6ClN3S/c1-12-7-10-5(8)4-2-3-9-6(4)11-7/h2-3H,1H3,(H,9,10,11)
InChIKey	WEGGBXZHIWVHOI-UHFFFAOYSA-N
SMILES	C1(SC)=NC(Cl)=C2C=CNC2=N1

SAFETY

Risk and Safety Statements

Symbol(GHS)	GHS06
Signal word	Danger
Hazard statements	H301
Precautionary statements	P301+P310
Hazard Codes	T
Risk Statements	25
Safety Statements	45
RIDADR	2811
WGK Germany	3
HazardClass	6.1
PackingGroup	Ⅲ
HS Code	2933998090

5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene price More Price(47)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Sigma-Aldrich	JRD0387	4-Chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine Aldrich	57564-94-0	1g	$463	2023-01-07	Buy
AstaTech	SC1201	4-CHLORO-2-(METHYLTHIO)-7H-PYRROLO[2,3-D]PYRIMIDINE 95%	57564-94-0	1G	$155	2026-04-30	Buy
AstaTech	SC1201	4-CHLORO-2-(METHYLTHIO)-7H-PYRROLO[2,3-D]PYRIMIDINE 95%	57564-94-0	5G	$498	2026-04-30	Buy
AstaTech	SC1201	4-CHLORO-2-(METHYLTHIO)-7H-PYRROLO[2,3-D]PYRIMIDINE 95%	57564-94-0	10G	$799	2026-04-30	Buy
Apolloscientific	OR322823	4-Chloro-2-(methylthio)-7h-pyrrolo[2,3-d]pyrimidine 98%	57564-94-0	100mg	$54	2026-06-04	Buy

Product number	Packaging	Price	Buy
JRD0387	1g	$463	Buy
SC1201	1G	$155	Buy
SC1201	5G	$498	Buy
SC1201	10G	$799	Buy
OR322823	100mg	$54	Buy

5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene Chemical Properties, Uses, Production

Synthesis

2-METHYLSULFANYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-OL

67831-83-8

5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene

57564-94-0

General procedure for the synthesis of 4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidines from 2-methylthio-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidines: triclosan (5 mL, 53.7 mmol) and triethylamine (0.2 mL, 1.43 mmol) were added to 2-methylthio-7H-pyrrolo[2,3-d]pyrimidin-4-yl alcohol (0.10 g, 0.55 mmol). The reaction mixture was heated to reflux at 130 °C for 4 h and subsequently cooled to room temperature. Excess trichlorophosphate was removed by distillation under reduced pressure. Ice water was carefully added to the residue and the suspension was extracted with ether (3 x 20 mL). The organic phases were combined, washed with distilled water (10 mL), dried over anhydrous magnesium sulfate, filtered and concentrated under reduced pressure. The crude product was purified by column chromatography (Florisil, 100-200 mesh), using diethyl ether as eluent, to give the pure 4-chloro-2-methylthio-7H-pyrrolo[2,3-d]pyrimidine in 77% yield (literature value 43%). Melting point: 207-209°C. 1H NMR (CDCl3): δ 2.67 (s, 3H, SCH3), 6.56-6.59 (m, 1H, H-5), 7.21-7.23 (m, 1H, H-6). IR (KBr) cm-1: 3412 (NH), 3122 (CH), 1614 (C=C). Mass Spectrometry (MS): m/z [M+1]+ 201. Calculated values for elemental analysis (C7H6N3ClS): C 42.11, H 3.03, N 21.05, S 16.06; measured values: C 42.29, H 3.38, N 21.14, S 16.36.

References

[1] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 22, p. 6770 - 6789
[2] European Journal of Medicinal Chemistry, 2017, vol. 127, p. 369 - 378

5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene Preparation Products And Raw materials

Raw materials

2-Methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol

Preparation Products

5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene Suppliers

Global Suppliers ( 79)

Supplier	Tel	Email	Country	ProdList	Advantage
chengchuangshengwu	18027266590	2377736726@qq.com	China	500	58
Capot Chemical Co., Ltd	+86 (0) 571 85 58 67 18		China	18187	66
Pure Chemistry Scientific Inc.	001-857-928-2050 or 1-888-588-9418	sales@chemreagents.com	United States	10174	62
Shanghai Hanhong Scientific Co.,Ltd.	021-54306202 13764082696	info@hanhongsci.com	China	42917	64
Jiangsu Aikon Biopharmaceutical R&D co.,Ltd.	025-66113011 13913916777	cfzhang@aikonchem.com	China	19902	55
9ding chemical ( Shanghai) Limited	4009209199	sales@9dingchem.com	China	18201	56
Shanghai Aladdin Bio-Chem Technology Co.,LTD	400-6206333 13167063860	anhua.mao@aladdin-e.com	China	29977	65
Bsisun HK Imoprt And Export Company Limited	+86-18068513926		China	1273	55
Shanghai Raise Chemical Technology Co.,Ltd	+86-021-50935922		China	7854	55
Chengdu AstaTech Trading Co., Ltd./AstaTech (Chengdu) Pharma. Co., Ltd.	+86-28-85122536 85324413	market@astatech.cn	China	8016	55

Supplier	Advantage
chengchuangshengwu	58
Capot Chemical Co., Ltd	66
Pure Chemistry Scientific Inc.	62
Shanghai Hanhong Scientific Co.,Ltd.	64
Jiangsu Aikon Biopharmaceutical R&D co.,Ltd.	55
9ding chemical ( Shanghai) Limited	56
Shanghai Aladdin Bio-Chem Technology Co.,LTD	65
Bsisun HK Imoprt And Export Company Limited	55
Shanghai Raise Chemical Technology Co.,Ltd	55
Chengdu AstaTech Trading Co., Ltd./AstaTech (Chengdu) Pharma. Co., Ltd.	55

View Latest Price from 5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene manufacturers

Image	Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
	2020-01-13	5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene 57564-94-0	$9.80	1g	≥99%	100kg	Career Henan Chemical Co

5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene
57564-94-0
$9.80
≥99%
Career Henan Chemical Co

5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene Spectrum

5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene(57564-94-0)¹HNMR

57564-94-0 (5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene) Related Search:

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5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene 4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-amine 7H-Pyrrolo[2,3-D]pyrimidine, 4-chloro-2-(methylthio)- Inchi=1/C7H6cln3S/C1-12-7-10-5(8)4-2-3-9-6(4)11-7/H2-3H,1H3,(H,9,10,11 4-Chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine 4-chloro-2-(Methylthio)-7H-pyrrolo[2 4-Chloro-2-(Methylthio)-7H-pyrrolo[2,3-D]pyriMidin 2-(Methylthio)-4-chloropyrrolo<2,3-d>pyriMidine 4-Chloro-2-methylthiopyrrolo[2,3-d]pyrimidine NSC 70903 5-chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]no-2,4,7,10-tetraene 57564-94-0 Heterocycle-Pyrimidine series CHIRAL CHEMICALS