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Home > Sulfanilamide > 917747-42-3
917747-42-3 | N-(5-Mercapto-4-p-tolyl-4H-[1,2,4]triazol-3-ylmethyl)-methanesulfonamide
CAS No: 917747-42-3 Catalog No: AG01F4RT MDL No:
Product Description
Catalog Number:
AG01F4RT
Chemical Name:
N-(5-Mercapto-4-p-tolyl-4H-[1,2,4]triazol-3-ylmethyl)-methanesulfonamide
CAS Number:
917747-42-3
Molecular Formula:
C11H14N4O2S2
Molecular Weight:
298.3845
IUPAC Name:
N-[[4-(4-methylphenyl)sulfonyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]methanesulfonamide
InChI:
InChI=1S/C11H14N4O4S3/c1-8-3-5-9(6-4-8)22(18,19)15-10(13-14-11(15)20)7-12-21(2,16)17/h3-6,12H,7H2,1-2H3,(H,14,20)
InChI Key:
YHHCEUMIOLUDMP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(S)nnc1CNS(=O)(=O)C
Properties
Complexity:
667
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.018g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
362.437g/mol
Monoisotopic Mass:
362.018g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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