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89818-17-7 | 2-Propenenitrile, 3-(1-cyclohexyl-1,2-dihydro-2-thioxo-3-pyridinyl)-, (E)-
CAS No: 89818-17-7 Catalog No: AG003Y0K MDL No:
Product Description
Catalog Number:
AG003Y0K
Chemical Name:
2-Propenenitrile, 3-(1-cyclohexyl-1,2-dihydro-2-thioxo-3-pyridinyl)-, (E)-
CAS Number:
89818-17-7
Molecular Formula:
C14H16N2S
Molecular Weight:
244.3552
IUPAC Name:
3-(1-cyclohexyl-2-sulfanylidenepyridin-3-yl)prop-2-enenitrile
InChI:
InChI=1S/C14H16N2S/c15-10-4-6-12-7-5-11-16(14(12)17)13-8-2-1-3-9-13/h4-7,11,13H,1-3,8-9H2
InChI Key:
RLOVTVSZXUSYFU-UHFFFAOYSA-N
SMILES:
N#C/C=C/c1cccn(c1=S)C1CCCCC1
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.356g/mol
Monoisotopic Mass:
244.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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