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109029-20-1 | Quinoline, 3-isothiocyanato-
CAS No: 109029-20-1 Catalog No: AG007BIZ MDL No:
Product Description
Catalog Number:
AG007BIZ
Chemical Name:
Quinoline, 3-isothiocyanato-
CAS Number:
109029-20-1
Molecular Formula:
C10H6N2S
Molecular Weight:
186.2330
IUPAC Name:
3-isothiocyanatoquinoline
InChI:
InChI=1S/C10H6N2S/c13-7-12-9-5-8-3-1-2-4-10(8)11-6-9/h1-6H
InChI Key:
LVYZLDGWUJUNDL-UHFFFAOYSA-N
SMILES:
S=C=Nc1cnc2c(c1)cccc2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.232g/mol
Monoisotopic Mass:
186.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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