Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 3-Sulfanylpropanenitrile
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 2-Cyanoethanethiol
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1001-58-7

1001-58-7 structure

1001-58-7 structure

Name: 3-Sulfanylpropanenitrile
Chemical Name: 3-sulfanylpropanenitrile
CAS Number: 1001-58-7
Molecular Formula: C₃H₅NS
Molecular Weight: 87.144
Catalog: Chemical reagent Organic reagent Thiol salt
Create Date: 2018-03-24 08:00:00
Modify Date: 2024-01-03 14:32:47

Name	3-sulfanylpropanenitrile
Synonyms	Ethane,1-cyano-2-mercapto EINECS 213-682-1 Propanenitrile, 3-mercapto- 2-cyanoethyl mercaptan 2-cyanoethanethiol 3-thiopropionitrile 3-mercaptopropanenitrile 2-cyanoethylthiol Propanenitrile,3-mercapto Ethanethiol,2-cyano 3-Mercaptopropiononitrile 3-Mercaptopropionitrile 3-Sulfanylpropanenitrile 3-Mercapto propionitrile

Density	1.0±0.1 g/cm3
Boiling Point	203.9±23.0 °C at 760 mmHg
Molecular Formula	C₃H₅NS
Molecular Weight	87.144
Flash Point	77.1±22.6 °C
Exact Mass	87.014267
PSA	62.59000
LogP	0.25
Vapour Pressure	0.3±0.4 mmHg at 25°C
Index of Refraction	1.468

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KJ0430000

CHEMICAL NAME :: Ethanethiol, 2-cyano-

CAS REGISTRY NUMBER :: 1001-58-7

BEILSTEIN REFERENCE NO. :: 1738135

LAST UPDATED :: 199701

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C3-H5-N-S

MOLECULAR WEIGHT :: 87.15

WISWESSER LINE NOTATION :: SH2CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

Hazard Codes	Xi
HS Code	2930909090

42841-31-6 structure

42841-31-6

~98%

1001-58-7 structure

1001-58-7

Literature: Klose, Jana; Reese, Colin B.; Song, Quanlai Tetrahedron, 1997 , vol. 53, # 42 p. 14411 - 14416

107-13-1 structure

107-13-1

~80%

1001-58-7 structure

1001-58-7

Literature: Miller, Gregory P.; Silverman, Adam P.; Kool, Eric T. Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 1 p. 56 - 64

6634-40-8 structure

6634-40-8

~38%

1001-58-7 structure

1001-58-7

Literature: Bierer, Donald E.; Dener, Jeffrey M.; Dubenko, Larisa G.; Gerber, R. Eric; Litvak, Joane; et al. Journal of Medicinal Chemistry, 1995 , vol. 38, # 14 p. 2628 - 2648

119174-33-3 structure

119174-33-3

~%

1001-58-7 structure

1001-58-7

Literature: Tetrahedron Letters, , vol. 40, # 4 p. 603 - 606

507-09-5 structure

507-09-5

107-13-1 structure

107-13-1

~%

1001-58-7 structure

1001-58-7

Literature: Industrial and Engineering Chemistry, , vol. 45, p. 2090 US2630448 , ; US2630452 , ;

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%