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Home > Quinoline > 165283-98-7
165283-98-7 | 5-oxo-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS No: 165283-98-7 Catalog No: AG01EITK MDL No:MFCD02042503
Product Description
Catalog Number:
AG01EITK
Chemical Name:
5-oxo-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS Number:
165283-98-7
Molecular Formula:
C10H8N2OS
Molecular Weight:
204.2483
MDL Number:
MFCD02042503
IUPAC Name:
5-oxo-2-sulfanylidene-1,6,7,8-tetrahydroquinoline-3-carbonitrile
InChI:
InChI=1S/C10H8N2OS/c11-5-6-4-7-8(12-10(6)14)2-1-3-9(7)13/h4H,1-3H2,(H,12,14)
InChI Key:
VQSFARIYUUEKEA-UHFFFAOYSA-N
SMILES:
N#Cc1cc2C(=O)CCCc2nc1S
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.247g/mol
Monoisotopic Mass:
204.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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