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89725-25-7 | 1H-Benzimidazole-5-sulfonamide, 6-chloro-2,3-dihydro-2-thioxo-
CAS No: 89725-25-7 Catalog No: AG00430F MDL No:
Product Description
Catalog Number:
AG00430F
Chemical Name:
1H-Benzimidazole-5-sulfonamide, 6-chloro-2,3-dihydro-2-thioxo-
CAS Number:
89725-25-7
Molecular Formula:
C7H6ClN3O2S2
Molecular Weight:
263.7244
IUPAC Name:
6-chloro-2-sulfanylidene-1,3-dihydrobenzimidazole-5-sulfonamide
InChI:
InChI=1S/C7H6ClN3O2S2/c8-3-1-4-5(11-7(14)10-4)2-6(3)15(9,12)13/h1-2H,(H2,9,12,13)(H2,10,11,14)
InChI Key:
CLPKYBQBZFIORG-UHFFFAOYSA-N
SMILES:
Clc1cc2[nH]c(=S)[nH]c2cc1S(=O)(=O)N
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.959g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
263.714g/mol
Monoisotopic Mass:
262.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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