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1195587-35-9 | QUINOLINE-3-CARBOTHIOAMIDE
CAS No: 1195587-35-9 Catalog No: AG01DYH0 MDL No:MFCD20703512
Product Description
Catalog Number:
AG01DYH0
Chemical Name:
QUINOLINE-3-CARBOTHIOAMIDE
CAS Number:
1195587-35-9
Molecular Formula:
C10H8N2S
Molecular Weight:
188.2489
MDL Number:
MFCD20703512
IUPAC Name:
quinoline-3-carbothioamide
InChI:
InChI=1S/C10H8N2S/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-6H,(H2,11,13)
InChI Key:
IDAXSPIOGDQKHO-UHFFFAOYSA-N
SMILES:
NC(=S)c1cnc2c(c1)cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.248g/mol
Monoisotopic Mass:
188.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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