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96898-30-5 | 2-Quinolinecarbothioamide
CAS No: 96898-30-5 Catalog No: AG00IJVF MDL No:MFCD16883891
Product Description
Catalog Number:
AG00IJVF
Chemical Name:
2-Quinolinecarbothioamide
CAS Number:
96898-30-5
Molecular Formula:
C10H8N2S
Molecular Weight:
188.2489
MDL Number:
MFCD16883891
IUPAC Name:
quinoline-2-carbothioamide
InChI:
InChI=1S/C10H8N2S/c11-10(13)9-6-5-7-3-1-2-4-8(7)12-9/h1-6H,(H2,11,13)
InChI Key:
HDDAGABOUKEMAG-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc2c(n1)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:
1.6
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