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Home > Sulfanilamide > 795291-33-7
795291-33-7 | 1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
CAS No: 795291-33-7 Catalog No: AG019NR5 MDL No:MFCD06368825
Product Description
Catalog Number:
AG019NR5
Chemical Name:
1-ethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
CAS Number:
795291-33-7
Molecular Formula:
C9H11N3O2S2
Molecular Weight:
257.3325
MDL Number:
MFCD06368825
IUPAC Name:
1-ethyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide
InChI:
InChI=1S/C9H11N3O2S2/c1-2-12-8-4-3-6(16(10,13)14)5-7(8)11-9(12)15/h3-5H,2H2,1H3,(H,11,15)(H2,10,13,14)
InChI Key:
XDOCFDUXHGWHGQ-UHFFFAOYSA-N
SMILES:
CCn1c(S)nc2c1ccc(c2)S(=O)(=O)N
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.029g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.326g/mol
Monoisotopic Mass:
257.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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