AG003LLV

7134-41-0 | 4-mercaptobenzenesulfonic acid

AG003LLV

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CAS Number	7134-41-0
Catalog Number	AG003LLV(AGN-PC-0JM2IU)
Chemical Name	4-mercaptobenzenesulfonic acid
IUPAC Name	4-sulfanylbenzenesulfonic acid
InChI	InChI=1S/C6H6O3S2/c7-11(8,9)6-3-1-5(10)2-4-6/h1-4,10H,(H,7,8,9)
InChI Key	ULBNVDPBWRTOPN-UHFFFAOYSA-N
MDL Number	MFCD23160741
Molecular Formula	C6H6O3S2
Molecular Weight	190.2400
NSC Number	127168
SMILES	O=S(C1=CC=C(S)C=C1)(O)=O
Synonyms	4-MBSNa, 4-mercaptobenzenesulfonate, 4-mercaptobenzenesulfonic acid, 4-Mercaptobenzenesulfonic acid, 7134-41-0, 4-sulfanylbenzenesulfonic acid, Benzenesulfonic acid, 4-mercapto-, 4-mercaptobenzenesulphonic acid, Benzenesulfonic acid,4-mercapto-, 4-Mbsna, NSC 127168, ACMC-1BJCU, AC1Q6WQF, AC1L3YM6, CHEMBL257260, SCHEMBL1203925, 4-mercaptobenzenesulph?onic acid, CTK5D3905, DTXSID60221537, 4-mer-capto benzene sulfonic acid, 4-mercaptobenzenesulph onic acid, KS-000002II, ZINC1715697, MFCD23160741, NSC127168, AKOS024257609, FCH2317148, NSC-127168, TRA0006258, AK167595, AS-48892, TX-017040, Z2885, M19188, 4-Mercaptobenzenesulfonate, 4-mercaptobenzenesulfonicacid, C6H6O3S2, C6-H6-O3-S2, CID97488, AR-1G4614, 74163-81-8,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.976g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	190.231g/mol
Monoisotopic Mass	189.976g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number