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56717-19-2 | 4-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide hydrochloride
CAS No: 56717-19-2 Catalog No: AG01C514 MDL No:MFCD29907045
Product Description
Catalog Number:
AG01C514
Chemical Name:
4-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide hydrochloride
CAS Number:
56717-19-2
Molecular Formula:
C11H15ClN2S
Molecular Weight:
242.7682
MDL Number:
MFCD29907045
IUPAC Name:
4-methyl-5,6,7,8-tetrahydroquinoline-8-carbothioamide;hydrochloride
InChI:
InChI=1S/C11H14N2S.ClH/c1-7-5-6-13-10-8(7)3-2-4-9(10)11(12)14;/h5-6,9H,2-4H2,1H3,(H2,12,14);1H
InChI Key:
YOLPHKHUHBBZQM-UHFFFAOYSA-N
SMILES:
NC(=S)C1CCCc2c1nccc2C.Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.765g/mol
Monoisotopic Mass:
242.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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