Home Sulfos 4-(chlorosulfonyl)-5-methylthiophene-2-carboxylic acid

4-(chlorosulfonyl)-5-methylthiophene-2-carboxylic acid

CAS No.:
1258651-16-9
Catalog Number:
AG01AAW5
Molecular Formula:
C6H5ClO4S2
Molecular Weight:
240.6845
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Product Description
Catalog Number:
AG01AAW5
Chemical Name:
4-(chlorosulfonyl)-5-methylthiophene-2-carboxylic acid
CAS Number:
1258651-16-9
Molecular Formula:
C6H5ClO4S2
Molecular Weight:
240.6845
MDL Number:
MFCD17480454
IUPAC Name:
4-chlorosulfonyl-5-methylthiophene-2-carboxylic acid
InChI:
InChI=1S/C6H5ClO4S2/c1-3-5(13(7,10)11)2-4(12-3)6(8)9/h2H,1H3,(H,8,9)
InChI Key:
OWIRUVOQVJXGHS-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(c(c1)S(=O)(=O)Cl)C
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.932g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.672g/mol
Monoisotopic Mass:
239.932g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties