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956576-74-2 | 4-isothiocyanato-N-(1-phenylethyl)benzenesulfonamide
CAS No: 956576-74-2 Catalog No: AG00JC13 MDL No:MFCD09971965
Product Description
Catalog Number:
AG00JC13
Chemical Name:
4-isothiocyanato-N-(1-phenylethyl)benzenesulfonamide
CAS Number:
956576-74-2
Molecular Formula:
C15H14N2O2S2
Molecular Weight:
318.4139
MDL Number:
MFCD09971965
IUPAC Name:
4-isothiocyanato-N-(1-phenylethyl)benzenesulfonamide
InChI:
InChI=1S/C15H14N2O2S2/c1-12(13-5-3-2-4-6-13)17-21(18,19)15-9-7-14(8-10-15)16-11-20/h2-10,12,17H,1H3
InChI Key:
VJCITSBIDZHEPQ-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)S(=O)(=O)NC(c1ccccc1)C
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.05g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.409g/mol
Monoisotopic Mass:
318.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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