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87236-71-3 | Carbamodithioic acid,dibutyl-, (8-hydroxy-7-quinolinyl)methyl ester (9CI)
CAS No: 87236-71-3 Catalog No: AG004RI0 MDL No:
Product Description
Catalog Number:
AG004RI0
Chemical Name:
Carbamodithioic acid,dibutyl-, (8-hydroxy-7-quinolinyl)methyl ester (9CI)
CAS Number:
87236-71-3
Molecular Formula:
C19H26N2OS2
Molecular Weight:
362.5525
IUPAC Name:
(8-hydroxyquinolin-7-yl)methyl N,N-dibutylcarbamodithioate
InChI:
InChI=1S/C19H26N2OS2/c1-3-5-12-21(13-6-4-2)19(23)24-14-16-10-9-15-8-7-11-20-17(15)18(16)22/h7-11,22H,3-6,12-14H2,1-2H3
InChI Key:
GHUMBRRHICYOPL-UHFFFAOYSA-N
SMILES:
CCCCN(C(=S)SCc1ccc2c(c1O)nccc2)CCCC
EC Number:
289-308-6
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.149g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.55g/mol
Monoisotopic Mass:
362.149g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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