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20521-93-1 | Propanoic acid, 2-methyl-2-[(1-thioxoethyl)thio]-, 1-(dimethoxyphosphinyl)-2-methyl-1-propen-1-yl ester
CAS No: 20521-93-1 Catalog No: AG0029YJ MDL No:
Product Description
Catalog Number:
AG0029YJ
Chemical Name:
Propanoic acid, 2-methyl-2-[(1-thioxoethyl)thio]-, 1-(dimethoxyphosphinyl)-2-methyl-1-propen-1-yl ester
CAS Number:
20521-93-1
Molecular Formula:
C12H21O5PS2
Molecular Weight:
340.3959
IUPAC Name:
(1-dimethoxyphosphoryl-2-methylprop-1-enyl) 2-ethanethioylsulfanyl-2-methylpropanoate
InChI:
InChI=1S/C12H21O5PS2/c1-8(2)10(18(14,15-6)16-7)17-11(13)12(4,5)20-9(3)19/h1-7H3
InChI Key:
MWJKHLPVZCFUIG-UHFFFAOYSA-N
SMILES:
COP(=O)(C(=C(C)C)OC(=O)C(SC(=S)C)(C)C)OC
NSC Number:
146547
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.389g/mol
Monoisotopic Mass:
340.057g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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