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154384-04-0 | 2-Methylsulfanyl-5,6,7,8-tetrahydro-quinoline-3-carbonitrile
CAS No: 154384-04-0 Catalog No: AG01F6QJ MDL No:
Product Description
Catalog Number:
AG01F6QJ
Chemical Name:
2-Methylsulfanyl-5,6,7,8-tetrahydro-quinoline-3-carbonitrile
CAS Number:
154384-04-0
Molecular Formula:
C11H12N2S
Molecular Weight:
204.2914
IUPAC Name:
2-methylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
InChI:
InChI=1S/C11H12N2S/c1-14-11-9(7-12)6-8-4-2-3-5-10(8)13-11/h6H,2-5H2,1H3
InChI Key:
QDBBHPGXQYWTIS-UHFFFAOYSA-N
SMILES:
N#Cc1cc2CCCCc2nc1SC
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.291g/mol
Monoisotopic Mass:
204.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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