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89795-78-8 | Acetonitrile, (4-pyridinylthio)-
CAS No: 89795-78-8 Catalog No: AG003ZO5 MDL No:
Product Description
Catalog Number:
AG003ZO5
Chemical Name:
Acetonitrile, (4-pyridinylthio)-
CAS Number:
89795-78-8
Molecular Formula:
C7H6N2S
Molecular Weight:
150.2009
IUPAC Name:
2-pyridin-4-ylsulfanylacetonitrile
InChI:
InChI=1S/C7H6N2S/c8-3-6-10-7-1-4-9-5-2-7/h1-2,4-5H,6H2
InChI Key:
IMSYCKJDNJEAKX-UHFFFAOYSA-N
SMILES:
N#CCSc1ccncc1
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.199g/mol
Monoisotopic Mass:
150.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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