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917747-88-7 | 3-Methyl-7,8-dihydro-6H-cyclopenta[g]quinoline-2-thiol
CAS No: 917747-88-7 Catalog No: AG01EZ62 MDL No:
Product Description
Catalog Number:
AG01EZ62
Chemical Name:
3-Methyl-7,8-dihydro-6H-cyclopenta[g]quinoline-2-thiol
CAS Number:
917747-88-7
Molecular Formula:
C13H13NS
Molecular Weight:
215.3140
IUPAC Name:
3-methyl-1,6,7,8-tetrahydrocyclopenta[g]quinoline-2-thione
InChI:
InChI=1S/C13H13NS/c1-8-5-11-6-9-3-2-4-10(9)7-12(11)14-13(8)15/h5-7H,2-4H2,1H3,(H,14,15)
InChI Key:
INHNTFLRIHDZTL-UHFFFAOYSA-N
SMILES:
Sc1nc2cc3CCCc3cc2cc1C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.314g/mol
Monoisotopic Mass:
215.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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