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73710-46-0 | Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-(1-naphthalenyl)-
CAS No: 73710-46-0 Catalog No: AG005XXN MDL No:
Product Description
Catalog Number:
AG005XXN
Chemical Name:
Ethanone, 2-(3-methyl-2(3H)-benzothiazolylidene)-1-(1-naphthalenyl)-
CAS Number:
73710-46-0
Molecular Formula:
C20H15NOS
Molecular Weight:
317.4042
IUPAC Name:
2-(3-methyl-1,3-benzothiazol-2-ylidene)-1-naphthalen-1-ylethanone
InChI:
InChI=1S/C20H15NOS/c1-21-17-11-4-5-12-19(17)23-20(21)13-18(22)16-10-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3
InChI Key:
HQTQILOQZHGRIY-UHFFFAOYSA-N
SMILES:
O=C(c1cccc2c1cccc2)C=c1sc2c(n1C)cccc2
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.087g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.406g/mol
Monoisotopic Mass:
317.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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