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27309-54-2 | 4-Phenyl-1,2-dihydroquinoline-2-thione
CAS No: 27309-54-2 Catalog No: AG01FCTT MDL No:
Product Description
Catalog Number:
AG01FCTT
Chemical Name:
4-Phenyl-1,2-dihydroquinoline-2-thione
CAS Number:
27309-54-2
Molecular Formula:
C15H11NS
Molecular Weight:
237.3195
IUPAC Name:
4-phenyl-1H-quinoline-2-thione
InChI:
InChI=1S/C15H11NS/c17-15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)16-15/h1-10H,(H,16,17)
InChI Key:
MXXDDLIMKVSDCA-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2ccccc2c(c1)c1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.32g/mol
Monoisotopic Mass:
237.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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