Home Sulfos 3-Thiophenecarboxylic acid, 5-(chlorosulfonyl)-

3-Thiophenecarboxylic acid, 5-(chlorosulfonyl)-

CAS No.:
875163-07-8
Catalog Number:
AG004HJM
Molecular Formula:
C5H3ClO4S2
Molecular Weight:
226.6579
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Product Description
Catalog Number:
AG004HJM
Chemical Name:
3-Thiophenecarboxylic acid, 5-(chlorosulfonyl)-
CAS Number:
875163-07-8
Molecular Formula:
C5H3ClO4S2
Molecular Weight:
226.6579
MDL Number:
MFCD07838406
IUPAC Name:
5-chlorosulfonylthiophene-3-carboxylic acid
InChI:
InChI=1S/C5H3ClO4S2/c6-12(9,10)4-1-3(2-11-4)5(7)8/h1-2H,(H,7,8)
InChI Key:
UXWVXKQSUVKKNI-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc(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