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893330-66-0 | 6-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-1-carbothioamide
CAS No: 893330-66-0 Catalog No: AG00IV8Y MDL No:MFCD00245622
Product Description
Catalog Number:
AG00IV8Y
Chemical Name:
6-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-1-carbothioamide
CAS Number:
893330-66-0
Molecular Formula:
C17H18N2S
Molecular Weight:
282.4032
MDL Number:
MFCD00245622
IUPAC Name:
6-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carbothioamide
InChI:
InChI=1S/C17H18N2S/c1-13-9-10-16-14(12-13)6-5-11-19(16)17(20)18-15-7-3-2-4-8-15/h2-4,7-10,12H,5-6,11H2,1H3,(H,18,20)
InChI Key:
FQDCRORCIMIMOJ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CCCN2C(=S)Nc1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.405g/mol
Monoisotopic Mass:
282.119g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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