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107920-20-7 | 4-Isothiocyanato-N-(2-methylphenyl)-benzenesulfonamide
CAS No: 107920-20-7 Catalog No: AG00HB1U MDL No:
Product Description
Catalog Number:
AG00HB1U
Chemical Name:
4-Isothiocyanato-N-(2-methylphenyl)-benzenesulfonamide
CAS Number:
107920-20-7
IUPAC Name:
4-isothiocyanato-N-(2-methylphenyl)benzenesulfonamide
InChI:
InChI=1S/C14H12N2O2S2/c1-11-4-2-3-5-14(11)16-20(17,18)13-8-6-12(7-9-13)15-10-19/h2-9,16H,1H3
InChI Key:
VAALPGNGGFUCSA-UHFFFAOYSA-N
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.034g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.382g/mol
Monoisotopic Mass:
304.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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