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CHLORTHION

CAS No.:
500-28-7
Catalog Number:
AG00D7WS
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00D7WS
Chemical Name:
CHLORTHION
CAS Number:
500-28-7
MDL Number:
MFCD00055340
IUPAC Name:
(3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3
InChI Key:
NZNRRXXETLSZRO-UHFFFAOYSA-N
EC Number:
207-902-5
UNII:
3NTK55T19G
NSC Number:
8927
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.963g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.646g/mol
Monoisotopic Mass:
296.963g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors. Journal of medicinal chemistry 20081113
Properties