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190970-00-4 | BENZONITRILE, 2-(1,2-BENZISOTHIAZOL-3-YLTHIO)-
CAS No: 190970-00-4 Catalog No: AG002EYL MDL No:
Product Description
Catalog Number:
AG002EYL
Chemical Name:
BENZONITRILE, 2-(1,2-BENZISOTHIAZOL-3-YLTHIO)-
CAS Number:
190970-00-4
Molecular Formula:
C14H8N2S2
Molecular Weight:
268.3567
IUPAC Name:
2-(1,2-benzothiazol-3-ylsulfanyl)benzonitrile
InChI:
InChI=1S/C14H8N2S2/c15-9-10-5-1-3-7-12(10)17-14-11-6-2-4-8-13(11)18-16-14/h1-8H
InChI Key:
BWCCHYONRPCCAC-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1Sc1nsc2c1cccc2
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.013g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.352g/mol
Monoisotopic Mass:
268.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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