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88322-65-0 | 2-Butanone, 4-(1,2-dihydro-4-methyl-2-thioxo-3-quinolinyl)-
CAS No: 88322-65-0 Catalog No: AG0089WX MDL No:
Product Description
Catalog Number:
AG0089WX
Chemical Name:
2-Butanone, 4-(1,2-dihydro-4-methyl-2-thioxo-3-quinolinyl)-
CAS Number:
88322-65-0
Molecular Formula:
C14H15NOS
Molecular Weight:
245.3400
IUPAC Name:
4-(4-methyl-2-sulfanylidene-1H-quinolin-3-yl)butan-2-one
InChI:
InChI=1S/C14H15NOS/c1-9(16)7-8-12-10(2)11-5-3-4-6-13(11)15-14(12)17/h3-6H,7-8H2,1-2H3,(H,15,17)
InChI Key:
HLLLPSZXWZKWHW-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1c(=S)[nH]c2c(c1C)cccc2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.34g/mol
Monoisotopic Mass:
245.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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