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19205-69-7 | 2(1H)-Quinolinethione, 3,4-dihydro-6-hydroxy-
CAS No: 19205-69-7 Catalog No: AG002FLT MDL No:
Product Description
Catalog Number:
AG002FLT
Chemical Name:
2(1H)-Quinolinethione, 3,4-dihydro-6-hydroxy-
CAS Number:
19205-69-7
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
IUPAC Name:
6-hydroxy-3,4-dihydro-1H-quinoline-2-thione
InChI:
InChI=1S/C9H9NOS/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h2-3,5,11H,1,4H2,(H,10,12)
InChI Key:
NGGXTVGDLGQSHH-UHFFFAOYSA-N
SMILES:
S=C1CCc2c(N1)ccc(c2)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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