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100872-51-3 | N-Benzyl-4-isothiocyanatobenzenesulfonamide
CAS No: 100872-51-3 Catalog No: AG00H9D5 MDL No:
Product Description
Catalog Number:
AG00H9D5
Chemical Name:
N-Benzyl-4-isothiocyanatobenzenesulfonamide
CAS Number:
100872-51-3
IUPAC Name:
N-benzyl-4-isothiocyanatobenzenesulfonamide
InChI:
InChI=1S/C14H12N2O2S2/c17-20(18,16-10-12-4-2-1-3-5-12)14-8-6-13(7-9-14)15-11-19/h1-9,16H,10H2
InChI Key:
GUJFGUZSUVLWEG-UHFFFAOYSA-N
Properties
Complexity:
438
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:
5
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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