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832098-96-1 | Thiourea, [4-(octahydro-1(2H)-quinolinyl)phenyl]-
CAS No: 832098-96-1 Catalog No: AG004ZYJ MDL No:
Product Description
Catalog Number:
AG004ZYJ
Chemical Name:
Thiourea, [4-(octahydro-1(2H)-quinolinyl)phenyl]-
CAS Number:
832098-96-1
Molecular Formula:
C16H23N3S
Molecular Weight:
289.4389
IUPAC Name:
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)phenyl]thiourea
InChI:
InChI=1S/C16H23N3S/c17-16(20)18-13-7-9-14(10-8-13)19-11-3-5-12-4-1-2-6-15(12)19/h7-10,12,15H,1-6,11H2,(H3,17,18,20)
InChI Key:
WXKPCCNYVYGSNK-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc(cc1)N1CCCC2C1CCCC2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.161g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.441g/mol
Monoisotopic Mass:
289.161g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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