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53400-60-5 | 5,6,7,8-TETRAHYDRO-8-QUINOLINECARBOTHIOAMIDE
CAS No: 53400-60-5 Catalog No: AG01DWHE MDL No:MFCD20690649
Product Description
Catalog Number:
AG01DWHE
Chemical Name:
5,6,7,8-TETRAHYDRO-8-QUINOLINECARBOTHIOAMIDE
CAS Number:
53400-60-5
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
MDL Number:
MFCD20690649
IUPAC Name:
5,6,7,8-tetrahydroquinoline-8-carbothioamide
InChI:
InChI=1S/C10H12N2S/c11-10(13)8-5-1-3-7-4-2-6-12-9(7)8/h2,4,6,8H,1,3,5H2,(H2,11,13)
InChI Key:
MUZLJLSOGBHBDC-UHFFFAOYSA-N
SMILES:
NC(=S)C1CCCc2c1nccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.28g/mol
Monoisotopic Mass:
192.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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