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Home > Imidazoles > 731776-67-3
731776-67-3 | 2-MERCAPTO-1-PROPYL-1H-BENZIMIDAZOLE-5-SULFONAMIDE
CAS No: 731776-67-3 Catalog No: AG00FC36 MDL No:MFCD04629632
Product Description
Catalog Number:
AG00FC36
Chemical Name:
2-MERCAPTO-1-PROPYL-1H-BENZIMIDAZOLE-5-SULFONAMIDE
CAS Number:
731776-67-3
Molecular Formula:
C10H13N3O2S2
Molecular Weight:
271.3591
MDL Number:
MFCD04629632
IUPAC Name:
1-propyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide
InChI:
InChI=1S/C10H13N3O2S2/c1-2-5-13-9-4-3-7(17(11,14)15)6-8(9)12-10(13)16/h3-4,6H,2,5H2,1H3,(H,12,16)(H2,11,14,15)
InChI Key:
HUGHJMAFQAPIKJ-UHFFFAOYSA-N
SMILES:
CCCn1c(S)nc2c1ccc(c2)S(=O)(=O)N
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.353g/mol
Monoisotopic Mass:
271.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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