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16916-33-9 | Benzamide, N-(4-phenyl-1,3-dithiol-2-ylidene)-
CAS No: 16916-33-9 Catalog No: AG001YJD MDL No:
Product Description
Catalog Number:
AG001YJD
Chemical Name:
Benzamide, N-(4-phenyl-1,3-dithiol-2-ylidene)-
CAS Number:
16916-33-9
Molecular Formula:
C16H11NOS2
Molecular Weight:
297.3946
IUPAC Name:
N-(4-phenyl-1,3-dithiol-2-ylidene)benzamide
InChI:
InChI=1S/C16H11NOS2/c18-15(13-9-5-2-6-10-13)17-16-19-11-14(20-16)12-7-3-1-4-8-12/h1-11H
InChI Key:
HHFMHICPWBTOAK-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)N=c1scc(s1)c1ccccc1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.028g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.39g/mol
Monoisotopic Mass:
297.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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