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Home > Pyridines > 175204-16-7
175204-16-7 | 2-Pyridineacetonitrile, α-[bis(ethylthio)methylene]-
CAS No: 175204-16-7 Catalog No: AG0020LL MDL No:
Product Description
Catalog Number:
AG0020LL
Chemical Name:
2-Pyridineacetonitrile, α-[bis(ethylthio)methylene]-
CAS Number:
175204-16-7
Molecular Formula:
C12H14N2S2
Molecular Weight:
250.3830
IUPAC Name:
3,3-bis(ethylsulfanyl)-2-pyridin-2-ylprop-2-enenitrile
InChI:
InChI=1S/C12H14N2S2/c1-3-15-12(16-4-2)10(9-13)11-7-5-6-8-14-11/h5-8H,3-4H2,1-2H3
InChI Key:
ZUSAFVJEIXUOGN-UHFFFAOYSA-N
SMILES:
CCSC(=C(c1ccccn1)C#N)SCC
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.378g/mol
Monoisotopic Mass:
250.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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