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100382-12-5 | 4-Isothiocyanato-N-phenylbenzenesulfonamide
CAS No: 100382-12-5 Catalog No: AG00H97Q MDL No:
Product Description
Catalog Number:
AG00H97Q
Chemical Name:
4-Isothiocyanato-N-phenylbenzenesulfonamide
CAS Number:
100382-12-5
IUPAC Name:
4-isothiocyanato-N-phenylbenzenesulfonamide
InChI:
InChI=1S/C13H10N2O2S2/c16-19(17,15-12-4-2-1-3-5-12)13-8-6-11(7-9-13)14-10-18/h1-9,15H
InChI Key:
OXBBXQCKKOGZCB-UHFFFAOYSA-N
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.018g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.355g/mol
Monoisotopic Mass:
290.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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