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29195-92-4 | 4-Quinolinecarbothioamide, 2-(2-methylpropyl)-
CAS No: 29195-92-4 Catalog No: AG002XNL MDL No:
Product Description
Catalog Number:
AG002XNL
Chemical Name:
4-Quinolinecarbothioamide, 2-(2-methylpropyl)-
CAS Number:
29195-92-4
Molecular Formula:
C14H16N2S
Molecular Weight:
244.3552
IUPAC Name:
2-(2-methylpropyl)quinoline-4-carbothioamide
InChI:
InChI=1S/C14H16N2S/c1-9(2)7-10-8-12(14(15)17)11-5-3-4-6-13(11)16-10/h3-6,8-9H,7H2,1-2H3,(H2,15,17)
InChI Key:
BEMTUAYMJOZVII-UHFFFAOYSA-N
SMILES:
CC(Cc1nc2ccccc2c(c1)C(=S)N)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.356g/mol
Monoisotopic Mass:
244.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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