AG003JME

4869-59-4 | 3-Mercaptobenzoic acid

AG003JME

SDS

COA

Price

$0.00

WARNING This product is not for human or veterinary use.

CAS Number	4869-59-4
Catalog Number	AG003JME(AGN-PC-0JM1G9)
Chemical Name	3-Mercaptobenzoic acid
IUPAC Name	3-sulfanylbenzoic acid
InChI	InChI=1S/C7H6O2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,10H,(H,8,9)
InChI Key	RSFDFESMVAIVKO-UHFFFAOYSA-N
MDL Number	MFCD00238636
Molecular Formula	C7H6O2S
Molecular Weight	154.1863
NSC Number	32021
SMILES	O=C(O)C1=CC=CC(S)=C1
Synonyms	3-Mercaptobenzoic acid, 4869-59-4, 3-sulfanylbenzoic acid, Benzoic acid, 3-mercapto-, 3-Mercapto-benzoic acid, 3-MercaptobenzoicAcid, CHEMBL291888, 3-Sulfanylbenzenecarboxylic acid, RSFDFESMVAIVKO-UHFFFAOYSA-N, 3-Mercapto Benzoic Acid, 3-carboxythiophenol, NSC32021, NSC 32021, m-mercaptobenzoic acid, PubChem5566, ACMC-209kdv, AC1L3UZN, AC1Q5TSX, Benzoic acid,3-mercapto-, sulfanylbenzenecarboxylicacid, SCHEMBL40364, KSC489O9N, 3-Mercaptobenzoic acid, 95%, CTK3I9796, DTXSID80197583, ZINC396166, KS-000010JB, ANW-30689, BBL100427, BDBM50311533, MFCD00238636, NSC-32021, STL554221, AKOS005067426, AC-7494, AN-7053, CM10051, MCULE-3153980516, NA-0707, RP10102, RTR-017727, TRA0075873, VZ35114, AB0066926, TL8006772, TR-017727, FT-0615952, M2221, Y-9929, 869M594, I09-0697, J-512740, C7-H6-O2-S, CID95737, AR-1F5212, 3-Mercaptobenzoic acid, 95% - 1G 1g, 5116-77-8,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.009g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	154.183g/mol
Monoisotopic Mass	154.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H318-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number