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1250168-67-2 | 1-BENZOTHIOPHEN-3-YLMETHANESULFONAMIDE
CAS No: 1250168-67-2 Catalog No: AG01B31E MDL No:MFCD16848704
Product Description
Catalog Number:
AG01B31E
Chemical Name:
1-BENZOTHIOPHEN-3-YLMETHANESULFONAMIDE
CAS Number:
1250168-67-2
Molecular Formula:
C9H9NO2S2
Molecular Weight:
227.3033
MDL Number:
MFCD16848704
IUPAC Name:
1-benzothiophen-3-ylmethanesulfonamide
InChI:
InChI=1S/C9H9NO2S2/c10-14(11,12)6-7-5-13-9-4-2-1-3-8(7)9/h1-5H,6H2,(H2,10,11,12)
InChI Key:
QNJMZFDMPJYZOG-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)Cc1csc2c1cccc2
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.296g/mol
Monoisotopic Mass:
227.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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