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146724-14-3 | 2-(1,3-benzothiazol-2-ylthio)nicotinonitrile
CAS No: 146724-14-3 Catalog No: AG00AUX1 MDL No:MFCD11134279
Product Description
Catalog Number:
AG00AUX1
Chemical Name:
2-(1,3-benzothiazol-2-ylthio)nicotinonitrile
CAS Number:
146724-14-3
Molecular Formula:
C13H7N3S2
Molecular Weight:
269.3448
MDL Number:
MFCD11134279
IUPAC Name:
2-(1,3-benzothiazol-2-ylsulfanyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C13H7N3S2/c14-8-9-4-3-7-15-12(9)18-13-16-10-5-1-2-6-11(10)17-13/h1-7H
InChI Key:
OVSVLYYYOWAQTE-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1Sc1nc2c(s1)cccc2
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.008g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.34g/mol
Monoisotopic Mass:
269.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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