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88940-73-2 | Butanenitrile, 4-(4-pyridinylthio)-
CAS No: 88940-73-2 Catalog No: AG0047ZJ MDL No:
Product Description
Catalog Number:
AG0047ZJ
Chemical Name:
Butanenitrile, 4-(4-pyridinylthio)-
CAS Number:
88940-73-2
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
IUPAC Name:
4-pyridin-4-ylsulfanylbutanenitrile
InChI:
InChI=1S/C9H10N2S/c10-5-1-2-8-12-9-3-6-11-7-4-9/h3-4,6-7H,1-2,8H2
InChI Key:
ZBNFOKMDOXKNFC-UHFFFAOYSA-N
SMILES:
N#CCCCSc1ccncc1
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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