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87236-69-9 | Carbamodithioic acid, dimethyl-, (8-hydroxy-7-quinolinyl)methyl ester
CAS No: 87236-69-9 Catalog No: AG004RI1 MDL No:
Product Description
Catalog Number:
AG004RI1
Chemical Name:
Carbamodithioic acid, dimethyl-, (8-hydroxy-7-quinolinyl)methyl ester
CAS Number:
87236-69-9
Molecular Formula:
C13H14N2OS2
Molecular Weight:
278.3931
IUPAC Name:
(8-hydroxyquinolin-7-yl)methyl N,N-dimethylcarbamodithioate
InChI:
InChI=1S/C13H14N2OS2/c1-15(2)13(17)18-8-10-6-5-9-4-3-7-14-11(9)12(10)16/h3-7,16H,8H2,1-2H3
InChI Key:
KCMAPLVTPZQOTN-UHFFFAOYSA-N
SMILES:
S=C(N(C)C)SCc1ccc2c(c1O)nccc2
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.055g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.388g/mol
Monoisotopic Mass:
278.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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