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88690-93-1 | Benzo[b]thiophen-3(2H)-one, 2-(phenylimino)-
CAS No: 88690-93-1 Catalog No: AG0047TZ MDL No:
Product Description
Catalog Number:
AG0047TZ
Chemical Name:
Benzo[b]thiophen-3(2H)-one, 2-(phenylimino)-
CAS Number:
88690-93-1
Molecular Formula:
C14H9NOS
Molecular Weight:
239.2924
IUPAC Name:
2-phenylimino-1-benzothiophen-3-one
InChI:
InChI=1S/C14H9NOS/c16-13-11-8-4-5-9-12(11)17-14(13)15-10-6-2-1-3-7-10/h1-9H
InChI Key:
ADPQTYQGRNTBAV-UHFFFAOYSA-N
SMILES:
O=C1C(=Nc2ccccc2)Sc2c1cccc2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.292g/mol
Monoisotopic Mass:
239.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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