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102100-35-6 | Naphtho[1,2-d]thiazole, 2-(2-phenylethenyl)-
CAS No: 102100-35-6 Catalog No: AG0006M6 MDL No:
Product Description
Catalog Number:
AG0006M6
Chemical Name:
Naphtho[1,2-d]thiazole, 2-(2-phenylethenyl)-
CAS Number:
102100-35-6
Molecular Formula:
C19H13NS
Molecular Weight:
287.3782
IUPAC Name:
2-(2-phenylethenyl)benzo[e][1,3]benzothiazole
InChI:
InChI=1S/C19H13NS/c1-2-6-14(7-3-1)10-13-18-20-19-16-9-5-4-8-15(16)11-12-17(19)21-18/h1-13H
InChI Key:
LMLJOZGMJSOHIA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C=Cc1sc2c(n1)c1ccccc1cc2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.077g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.38g/mol
Monoisotopic Mass:
287.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.9
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