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938006-80-5 | 6-METHYLQUINOLINE-2-CARBOTHIOAMIDE
CAS No: 938006-80-5 Catalog No: AG01AO7P MDL No:MFCD08558304
Product Description
Catalog Number:
AG01AO7P
Chemical Name:
6-METHYLQUINOLINE-2-CARBOTHIOAMIDE
CAS Number:
938006-80-5
Molecular Formula:
C11H10N2S
Molecular Weight:
202.2755
MDL Number:
MFCD08558304
IUPAC Name:
6-methylquinoline-2-carbothioamide
InChI:
InChI=1S/C11H10N2S/c1-7-2-4-9-8(6-7)3-5-10(13-9)11(12)14/h2-6H,1H3,(H2,12,14)
InChI Key:
MRGBXQCDBAPQDN-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)ccc(n2)C(=S)N
Properties
Complexity:
229
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:
1
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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