AG00IAJL

59337-93-8 | 2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester

AG00IAJL

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CAS Number	59337-93-8
Catalog Number	AG00IAJL(AGN-PC-0JLCJR)
Chemical Name	2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester
EC Number	611-820-9
IUPAC Name	methyl 3-sulfamoylthiophene-2-carboxylate
InChI	InChI=1S/C6H7NO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3,(H2,7,9,10)
InChI Key	PMXNPOJHBQDJKS-UHFFFAOYSA-N
MDL Number	MFCD01760863
Molecular Formula	C6H7NO4S2
Molecular Weight	221.2541
SMILES	O=C(C1=C(S(=O)(N)=O)C=CS1)OC
UNII	ESI9CQO80V
Synonyms	59337-93-8, methyl 3-sulfamoylthiophene-2-carboxylate, methyl 3-(aminosulfonyl)thiophene-2-carboxylate, Methyl 3-aminosulfonylthiophene-2-carboxylate, UNII-ESI9CQO80V, 2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, methyl ester, Methyl 3-(aminosulfonyl)-2-thiophenecarboxylate, ESI9CQO80V, methyl 3-Sulfonyl amino-2-thiophenecarboxylate, AC1Q5ZFT, AC1L2PX0, DSSTox_CID_24490, DSSTox_RID_80266, DSSTox_GSID_44490, AC1Q42E6, SCHEMBL4358291, CHEMBL3184199, DTXSID0044490, CTK3J6604, KS-00003HUI, PMXNPOJHBQDJKS-UHFFFAOYSA-N, ALBB-004780, ZINC5997456, Tox21_301980, CM-521, HTS003819, MFCD01760863, SBB018585, STK501415, AKOS000145887, BS-4294, CCG-126854, MCULE-8633578254, RL04240, RTR-020593, VT20404, Methyl 3-sulfamoylthiophen-2-carboxylate, NCGC00255808-01, AJ-55433, AN-39630, AT-31987, BC213175, S857, methyl 3-sulfamoyl-2-thiophene carboxylate, CAS-59337-93-8, LS-152982, ST4144220, TR-020593, FT-0679040, R4874, EN300-24276, Methyl-(3-aminosulfonyl thiophen-2-carboxylate, 337M938, 3-Sulfamoyl-2-thiophenecarboxylic acid methyl ester, I09-1119, J-522092, C6H7NO4S2, C6-H7-N-O4-S2, AR-1J5222, CID101012, ZINC05997456, methyl 3-sulfamoyl-2-thiophenecarboxylate, A5546, methyl 3-(chlorosulfonyl)thiophene-2-carboxylate, 61015-20-1,

Complexity	294
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.982g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.245g/mol
Monoisotopic Mass	220.982g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	123A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
UN Code

Certificate of Analysis

Lot Number