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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:2025-07-24 18:13:47

Product description	Number	Pack Size	Price
4-Chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine Aldrich	JRD0387	1g	$463
4-Chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine	C994603	10mg	$45
4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine 97%	BP-20050	250mg	$180
4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine 97%	BP-20050	1g	$335
4-Chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine	7H66-5-95	250mg	$416
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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(19)

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
TRC	C994603	4-Chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine	57564-94-0	10mg	$45	2021-12-16	Buy
BroadPharm	BP-20050	4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine 97%	57564-94-0	250mg	$180	2021-12-16	Buy
BroadPharm	BP-20050	4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine 97%	57564-94-0	1g	$335	2021-12-16	Buy
SynQuest Laboratories	7H66-5-95	4-Chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine	57564-94-0	250mg	$416	2021-12-16	Buy

Product number	Packaging	Price	Buy
JRD0387	1g	$463	Buy
C994603	10mg	$45	Buy
BP-20050	250mg	$180	Buy
BP-20050	1g	$335	Buy
7H66-5-95	250mg	$416	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( 78)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
Capot Chemical Co.,Ltd.	+86-（0）57185586718; +8613336195806	sales@capot.com	China	29735	60
Shandong chuangyingchemical Co., Ltd.	18853181302	sale@chuangyingchem.com	CHINA	5906	58
Alchem Pharmtech,Inc.	8485655694	sales@alchempharmtech.com	United States	63687	58
career henan chemical co	+86-0371-86658258 +8613203830695	factory@coreychem.com	China	29799	58
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd	+8613580539051	joe@yuhengpharm.com	CHINA	21142	58
HANGZHOU LEAP CHEM CO., LTD.	+86-571-87711850	market18@leapchem.com	China	43339	58
DAYANG CHEM (HANGZHOU) CO.,LTD	+86-88938639 +86-17705817739	info@dycnchem.com	China	53900	58
Chongqing Chemdad Co., Ltd	+86-023-6139-8061 +86-86-13650506873	sales@chemdad.com	China	39927	58
Amadis Chemical Company Limited	571-89925085	sales@amadischem.com	China	131957	58
Guangzhou Chengchuang Biotechnology Co., Ltd.	18027266590	2377736726@qq.com	China	500	58

Supplier	Advantage
Capot Chemical Co.,Ltd.	60
Shandong chuangyingchemical Co., Ltd.	58
Alchem Pharmtech,Inc.	58
career henan chemical co	58
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd	58
HANGZHOU LEAP CHEM CO., LTD.	58
DAYANG CHEM (HANGZHOU) CO.,LTD	58
Chongqing Chemdad Co., Ltd	58
Amadis Chemical Company Limited	58
Guangzhou Chengchuang Biotechnology Co., Ltd.	58

View Lastest 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	US $9.80 / KG	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
US $9.80 / KG
≥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

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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