Home Sulfos 2-Thiophenecarboxylic acid, 5-chloro-3-[(methylamino)sulfonyl]-

2-Thiophenecarboxylic acid, 5-chloro-3-[(methylamino)sulfonyl]-

CAS No.:
70374-36-6
Catalog Number:
AG0069D2
Molecular Formula:
C6H6ClNO4S2
Molecular Weight:
255.6991
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Product Description
Catalog Number:
AG0069D2
Chemical Name:
2-Thiophenecarboxylic acid, 5-chloro-3-[(methylamino)sulfonyl]-
CAS Number:
70374-36-6
Molecular Formula:
C6H6ClNO4S2
Molecular Weight:
255.6991
MDL Number:
MFCD15202270
IUPAC Name:
5-chloro-3-(methylsulfamoyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C6H6ClNO4S2/c1-8-14(11,12)3-2-4(7)13-5(3)6(9)10/h2,8H,1H3,(H,9,10)
InChI Key:
SRXBPROHRKDGBA-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1cc(sc1C(=O)O)Cl
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.943g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.687g/mol
Monoisotopic Mass:
254.943g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties