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30821-04-6 | 2-Quinolineethanethioamide
CAS No: 30821-04-6 Catalog No: AG0031ES MDL No:
Product Description
Catalog Number:
AG0031ES
Chemical Name:
2-Quinolineethanethioamide
CAS Number:
30821-04-6
Molecular Formula:
C11H10N2S
Molecular Weight:
202.2755
IUPAC Name:
2-quinolin-2-ylethanethioamide
InChI:
InChI=1S/C11H10N2S/c12-11(14)7-9-6-5-8-3-1-2-4-10(8)13-9/h1-6H,7H2,(H2,12,14)
InChI Key:
PODSWTXEDPFIJH-UHFFFAOYSA-N
SMILES:
NC(=S)Cc1ccc2c(n1)cccc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.275g/mol
Monoisotopic Mass:
202.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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