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Home > Sulfanilamide > 956576-64-0
956576-64-0 | 4-isothiocyanato-N-mesitylbenzenesulfonamide
CAS No: 956576-64-0 Catalog No: AG00JC0F MDL No:MFCD09971945
Product Description
Catalog Number:
AG00JC0F
Chemical Name:
4-isothiocyanato-N-mesitylbenzenesulfonamide
CAS Number:
956576-64-0
Molecular Formula:
C16H16N2O2S2
Molecular Weight:
332.4404
MDL Number:
MFCD09971945
IUPAC Name:
4-isothiocyanato-N-(2,4,6-trimethylphenyl)benzenesulfonamide
InChI:
InChI=1S/C16H16N2O2S2/c1-11-8-12(2)16(13(3)9-11)18-22(19,20)15-6-4-14(5-7-15)17-10-21/h4-9,18H,1-3H3
InChI Key:
BQFIPAQABNGLTI-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(cc1C)C
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.065g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.436g/mol
Monoisotopic Mass:
332.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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