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956576-73-1 | 4-isothiocyanato-N-(2-phenylethyl)benzenesulfonamide
CAS No: 956576-73-1 Catalog No: AG00JC0X MDL No:MFCD09971959
Product Description
Catalog Number:
AG00JC0X
Chemical Name:
4-isothiocyanato-N-(2-phenylethyl)benzenesulfonamide
CAS Number:
956576-73-1
Molecular Formula:
C15H14N2O2S2
Molecular Weight:
318.4139
MDL Number:
MFCD09971959
IUPAC Name:
4-isothiocyanato-N-(2-phenylethyl)benzenesulfonamide
InChI:
InChI=1S/C15H14N2O2S2/c18-21(19,15-8-6-14(7-9-15)16-12-20)17-11-10-13-4-2-1-3-5-13/h1-9,17H,10-11H2
InChI Key:
UOFBUEDYWWDJLK-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)S(=O)(=O)NCCc1ccccc1
Properties
Complexity:
453
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:
6
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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