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13896-81-6 | 2-Propanone, 1-(2-quinolinylthio)-
CAS No: 13896-81-6 Catalog No: AG0019XP MDL No:MFCD11080279
Product Description
Catalog Number:
AG0019XP
Chemical Name:
2-Propanone, 1-(2-quinolinylthio)-
CAS Number:
13896-81-6
Molecular Formula:
C12H11NOS
Molecular Weight:
217.2868
MDL Number:
MFCD11080279
IUPAC Name:
1-quinolin-2-ylsulfanylpropan-2-one
InChI:
InChI=1S/C12H11NOS/c1-9(14)8-15-12-7-6-10-4-2-3-5-11(10)13-12/h2-7H,8H2,1H3
InChI Key:
UZFZKFUGCZFXES-UHFFFAOYSA-N
SMILES:
CC(=O)CSc1ccc2c(n1)cccc2
NSC Number:
98849
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.286g/mol
Monoisotopic Mass:
217.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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