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88709-13-1 | Benzo[b]thiophen-3(2H)-one, 2-(aminophenylmethylene)-5-methyl-, (E)-
CAS No: 88709-13-1 Catalog No: AG00475Q MDL No:
Product Description
Catalog Number:
AG00475Q
Chemical Name:
Benzo[b]thiophen-3(2H)-one, 2-(aminophenylmethylene)-5-methyl-, (E)-
CAS Number:
88709-13-1
Molecular Formula:
C16H13NOS
Molecular Weight:
267.3455
IUPAC Name:
2-(benzenecarboximidoyl)-5-methyl-1-benzothiophen-3-ol
InChI:
InChI=1S/C16H13NOS/c1-10-7-8-13-12(9-10)15(18)16(19-13)14(17)11-5-3-2-4-6-11/h2-9,17-18H,1H3
InChI Key:
ZORAZALQAQVPJE-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=O)/C(=C(/c1ccccc1)\N)/S2
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.346g/mol
Monoisotopic Mass:
267.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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