AG003USR

134-23-6 | Sodium 2-mercaptobenzoate

AG003USR

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CAS Number	134-23-6
Catalog Number	AG003USR(AGN-PC-0PK8X9)
Chemical Name	Sodium 2-mercaptobenzoate
IUPAC Name	sodium;2-sulfanylbenzoate
InChI	InChI=1S/C7H6O2S.Na/c8-7(9)5-3-1-2-4-6(5)10;/h1-4,10H,(H,8,9);/q;+1/p-1
InChI Key	HBAIZOJDXAXWHS-UHFFFAOYSA-M
MDL Number	MFCD00070504
Molecular Formula	C7H5NaO2S
Molecular Weight	176.1682
SMILES	SC1=CC=CC=C1C([O-])=O.[Na+]
UNII	C2D9ITW04B
Synonyms	2-thiosalicylate, 2-thiosalicylic acid, 2-thiosalicylic acid, sodium salt, CPC-Thiosal, ortho-mercaptobenzoic acid, Pirosal, Rexolate, Thiocyl, SODIUM THIOSALICYLATE, Sodium 2-Mercaptobenzoate, 134-23-6, Thiosalicylic acid sodium salt, sodium 2-sulfanylbenzoate, UNII-C2D9ITW04B, C2D9ITW04B, Rexolate, Thiocyl, Rexolate (TN), AC1Q1VVG, Benzoic acid, 2-mercapto-, monosodium salt, SCHEMBL187240, CHEBI:9182, CTK8D8158, HBAIZOJDXAXWHS-UHFFFAOYSA-M, 2-Mercaptobenzoic Acid Sodium Salt, MFCD00070504, 2-Mercapto-benzoic acid, monosodium salt, FT-0768179, C08171, D00971, J-006506, Guaiyl acetate, C7H6O2S.Na, C7-H6-O2-S.Na, CID8636, AR-1L4627, T0220, 1502-22-3,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.991g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.165g/mol
Monoisotopic Mass	175.991g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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