AG0000Y1

1001-58-7 | Propanenitrile, 3-mercapto-

AG0000Y1

SDS

COA

Price

$0.00

WARNING This product is not for human or veterinary use.

CAS Number	1001-58-7
Catalog Number	AG0000Y1(AGN-PC-0JL9Q0)
Chemical Name	Propanenitrile, 3-mercapto-
EC Number	213-682-1
IUPAC Name	3-sulfanylpropanenitrile
InChI	InChI=1S/C3H5NS/c4-2-1-3-5/h5H,1,3H2
InChI Key	FCTXEFOUDMXDPD-UHFFFAOYSA-N
MDL Number	MFCD00054507
Molecular Formula	C3H5NS
Molecular Weight	87.1435
SMILES	SCCC#N
Synonyms	1001-58-7, Propanenitrile, 3-mercapto-, 3-Mercaptopropionitrile, 3-sulfanylpropanenitrile, 1-Cyano-2-mercaptoethane, 3-mercaptopropanenitrile, 3-Mercaptopropiononitrile, beta-Cyanoethylmercaptan, Ethane, 1-cyano-2-mercapto-, Ethanethiol, 2-cyano-, BRN 1738135, EINECS 213-682-1, FCTXEFOUDMXDPD-UHFFFAOYSA-N, 2-cyanoethyl mercaptan, 3-mercaptopropanonitrile, ACMC-20p1cd, 3-mercapto-propionitrile, beta-mercaptopropionitrile, .beta.-Cyanoethylmercaptan, AC1L2E6E, 4-03-00-00747 (Beilstein Handbook Reference), DTXSID4061383, CTK9A5755, ZINC5178853, MFCD00054507, AKOS006345272, MCULE-7199964466, TRA0127641, CJ-12502, LS-65832, SC-66276, AK01050765, FT-0652645, A800061, S09-0084, BY1, (R)-(-)-Praziquantel, C3H5NS, Propionitrile, 3-mercapto-, C3-H5-N-S, CID70477, ACN-043746, 3-[(4-methylphenyl)sulfonyl]prop-2-enenitrile, 57452-98-9,

Complexity	51.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	87.014g/mol
Formal Charge	0
Heavy Atom Count	5
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	87.14g/mol
Monoisotopic Mass	87.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	24.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P301+P312+P330
Siginal words

Certificate of Analysis

Lot Number