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Home > Sulfanilamide > 749902-32-7
749902-32-7 | 1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
CAS No: 749902-32-7 Catalog No: AG019JM1 MDL No:MFCD06335783
Product Description
Catalog Number:
AG019JM1
Chemical Name:
1-butyl-N,N-dimethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
CAS Number:
749902-32-7
Molecular Formula:
C13H19N3O2S2
Molecular Weight:
313.4389
MDL Number:
MFCD06335783
IUPAC Name:
1-butyl-N,N-dimethyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide
InChI:
InChI=1S/C13H19N3O2S2/c1-4-5-8-16-12-7-6-10(20(17,18)15(2)3)9-11(12)14-13(16)19/h6-7,9H,4-5,8H2,1-3H3,(H,14,19)
InChI Key:
SMSSNRYJJBNIKU-UHFFFAOYSA-N
SMILES:
CCCCn1c(S)nc2c1ccc(c2)S(=O)(=O)N(C)C
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.092g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.434g/mol
Monoisotopic Mass:
313.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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