Home Sulfos 2-Thiophenecarboxylic acid, 4-(chlorosulfonyl)-

2-Thiophenecarboxylic acid, 4-(chlorosulfonyl)-

CAS No.:
79279-54-2
Catalog Number:
AG0052UB
Molecular Formula:
C5H3ClO4S2
Molecular Weight:
226.6579
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Product Description
Catalog Number:
AG0052UB
Chemical Name:
2-Thiophenecarboxylic acid, 4-(chlorosulfonyl)-
CAS Number:
79279-54-2
Molecular Formula:
C5H3ClO4S2
Molecular Weight:
226.6579
MDL Number:
MFCD19159486
IUPAC Name:
4-chlorosulfonylthiophene-2-carboxylic acid
InChI:
InChI=1S/C5H3ClO4S2/c6-12(9,10)3-1-4(5(7)8)11-2-3/h1-2H,(H,7,8)
InChI Key:
JHUDMONBNZNYHU-UHFFFAOYSA-N
SMILES:
OC(=O)c1scc(c1)S(=O)(=O)Cl
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.916g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.645g/mol
Monoisotopic Mass:
225.916g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties