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112629-71-7 | 3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)-
CAS No: 112629-71-7 Catalog No: AG007SQA MDL No:
Product Description
Catalog Number:
AG007SQA
Chemical Name:
3-Quinolinecarbonitrile, 5,6,7,8-tetrahydro-2-(2-propenylthio)-
CAS Number:
112629-71-7
Molecular Formula:
C13H14N2S
Molecular Weight:
230.3287
IUPAC Name:
2-prop-2-enylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
InChI:
InChI=1S/C13H14N2S/c1-2-7-16-13-11(9-14)8-10-5-3-4-6-12(10)15-13/h2,8H,1,3-7H2
InChI Key:
ORGOAWYXMVOANL-UHFFFAOYSA-N
SMILES:
C=CCSc1nc2CCCCc2cc1C#N
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.088g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.329g/mol
Monoisotopic Mass:
230.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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