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113508-10-4 | 2-Quinolinamine, 4-(methylthio)-
CAS No: 113508-10-4 Catalog No: AG0008TE MDL No:
Product Description
Catalog Number:
AG0008TE
Chemical Name:
2-Quinolinamine, 4-(methylthio)-
CAS Number:
113508-10-4
Molecular Formula:
C10H10N2S
Molecular Weight:
190.2648
IUPAC Name:
4-methylsulfanylquinolin-2-amine
InChI:
InChI=1S/C10H10N2S/c1-13-9-6-10(11)12-8-5-3-2-4-7(8)9/h2-6H,1H3,(H2,11,12)
InChI Key:
LILUDWBMJXGZCZ-UHFFFAOYSA-N
SMILES:
CSc1cc(N)nc2c1cccc2
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.264g/mol
Monoisotopic Mass:
190.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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