AG002AJ3

20607-43-6 | 2-Propanethiol, sodium salt (8CI,9CI)

AG002AJ3

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CAS Number	20607-43-6
Catalog Number	AG002AJ3(AGN-PC-0QVUNT)
Chemical Name	2-Propanethiol, sodium salt (8CI,9CI)
IUPAC Name	sodium;propane-2-thiolate
InChI	InChI=1S/C3H8S.Na/c1-3(2)4;/h3-4H,1-2H3;/q;+1/p-1
InChI Key	NQHKCHWQDDWQJR-UHFFFAOYSA-M
MDL Number	MFCD00043314
Molecular Formula	C3H7NaS
Molecular Weight	98.1424
SMILES	CC(C)[S-].[Na+]
Synonyms	Sodium 2-propanethiolate, 20607-43-6, Sodium Propane-2-thiolate, Isopropylthiosodium, i-PrSNa, isopropylsulfanylsodium, AC1MRMRZ, ACMC-1CC1I, 2-Propanethiol sodium salt, (propan-2-ylsulfanyl)sodium, CTK4E4658, DTXSID90392784, NQHKCHWQDDWQJR-UHFFFAOYSA-M, AKOS025294865, 2-Propanethiol, sodiumsalt (8CI,9CI), TC-165209, FT-0695285, C-48857, J-013461, Sodium 2-propanethiolate, technical, >=90.0% (RT), SODIUM2-PROPANETHIOLATE, CID3470666, CID6099441,

Complexity	14.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	98.017g/mol
Formal Charge	0
Heavy Atom Count	5
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	98.139g/mol
Monoisotopic Mass	98.017g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3263

Certificate of Analysis

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