AG00EB1H

60166-86-1 | 5-(Methylsulfonyl)thiophene-2-carboxylic acid

AG00EB1H

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CAS Number	60166-86-1
Catalog Number	AG00EB1H(AGN-PC-0KKANZ)
Chemical Name	5-(Methylsulfonyl)thiophene-2-carboxylic acid
IUPAC Name	5-methylsulfonylthiophene-2-carboxylic acid
InChI	InChI=1S/C6H6O4S2/c1-12(9,10)5-3-2-4(11-5)6(7)8/h2-3H,1H3,(H,7,8)
InChI Key	SLWRTVINHWIGTK-UHFFFAOYSA-N
MDL Number	MFCD00173745
Molecular Formula	C6H6O4S2
Molecular Weight	206.2394
SMILES	CS(=O)(=O)C1=CC=C(S1)C(O)=O
Synonyms	5-(METHYLSULFONYL)THIOPHENE-2-CARBOXYLIC ACID, 60166-86-1, 5-methanesulfonylthiophene-2-carboxylic acid, 5-methylsulfonylthiophene-2-carboxylic acid, 2-Thiophenecarboxylicacid, 5-(methylsulfonyl)-, Maybridge1_007675, AC1MCC3O, SCHEMBL322182, C6H6O4S2, CTK2F2516, HMS563E19, DTXSID60372376, SLWRTVINHWIGTK-UHFFFAOYSA-N, ZINC109556, KS-00000KU4, ANW-59573, MFCD00173745, SBB093677, AKOS016003772, CCG-252888, MCULE-3458000212, PS-4633, VT20306, AJ-11315, 5-methanesulfonyl-2-thiphenecarboxylic acid, 5-methylsulfonyl-2-thiophenecarboxylic acid, AB0003493, DB-004895, TC-148318, 4CH-021644, FT-0083127, FT-0619719, ST24044257, Z2925, (5-methylsulfonyl)thiophene-2-carboxylic acid, 2-Thiophenecarboxylicacid,5-(methylsulfonyl)-, 5-(methylsulfonyl)-2-thiophenecarboxylic acid, 5-Methanesulfonyl thiophene-2-carboxylic acid, 5-methanesulfonyl-thiophene-2-carboxylic acid, C-1177, A832622, I14-100580, Z2372279075, 5-(methylsulfonyl)thiophene-2-carboxylic acid, AldrichCPR, ACN-051879, CID2740497, 5-(Methylsulfonyl)thiophene-2-carboxylic acid, 97% - 1G 1g,

Complexity	276
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.971g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.23g/mol
Monoisotopic Mass	205.971g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	108A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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