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190970-01-5 | Benzonitrile, 2-(1-piperazinylthio)-
CAS No: 190970-01-5 Catalog No: AG002EYK MDL No:
Product Description
Catalog Number:
AG002EYK
Chemical Name:
Benzonitrile, 2-(1-piperazinylthio)-
CAS Number:
190970-01-5
Molecular Formula:
C11H13N3S
Molecular Weight:
219.3060
IUPAC Name:
2-piperazin-1-ylsulfanylbenzonitrile
InChI:
InChI=1S/C11H13N3S/c12-9-10-3-1-2-4-11(10)15-14-7-5-13-6-8-14/h1-4,13H,5-8H2
InChI Key:
ZBMXKIOVZVWSCC-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1SN1CCNCC1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.306g/mol
Monoisotopic Mass:
219.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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