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89081-04-9 | 2(1H)-Quinolinethione, 4-methyl-3-(1-methylethyl)-
CAS No: 89081-04-9 Catalog No: AG0040BO MDL No:
Product Description
Catalog Number:
AG0040BO
Chemical Name:
2(1H)-Quinolinethione, 4-methyl-3-(1-methylethyl)-
CAS Number:
89081-04-9
Molecular Formula:
C13H15NS
Molecular Weight:
217.3299
IUPAC Name:
4-methyl-3-propan-2-yl-1H-quinoline-2-thione
InChI:
InChI=1S/C13H15NS/c1-8(2)12-9(3)10-6-4-5-7-11(10)14-13(12)15/h4-8H,1-3H3,(H,14,15)
InChI Key:
HNIJVVONOCUTMM-UHFFFAOYSA-N
SMILES:
CC(c1c(=S)[nH]c2c(c1C)cccc2)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.093g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.33g/mol
Monoisotopic Mass:
217.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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