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827346-16-7 | 2(3H)-Benzothiazolethione, 3-(4-cyanobenzoyl)-
CAS No: 827346-16-7 Catalog No: AG008J4Q MDL No:
Product Description
Catalog Number:
AG008J4Q
Chemical Name:
2(3H)-Benzothiazolethione, 3-(4-cyanobenzoyl)-
CAS Number:
827346-16-7
Molecular Formula:
C15H8N2OS2
Molecular Weight:
296.3668
IUPAC Name:
4-(2-sulfanylidene-1,3-benzothiazole-3-carbonyl)benzonitrile
InChI:
InChI=1S/C15H8N2OS2/c16-9-10-5-7-11(8-6-10)14(18)17-12-3-1-2-4-13(12)20-15(17)19/h1-8H
InChI Key:
JNZHZKNJCUUDPB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)n1c(=S)sc2c1cccc2
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.008g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.362g/mol
Monoisotopic Mass:
296.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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