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87762-81-0 | Phosphonic acid, [3-(methylthio)-1-sulfinylpropyl]-, diethyl ester
CAS No: 87762-81-0 Catalog No: AG004FL8 MDL No:
Product Description
Catalog Number:
AG004FL8
Chemical Name:
Phosphonic acid, [3-(methylthio)-1-sulfinylpropyl]-, diethyl ester
CAS Number:
87762-81-0
Molecular Formula:
C8H17O4PS2
Molecular Weight:
272.3219
IUPAC Name:
1-diethoxyphosphoryl-3-methylsulfanyl-1-sulfinylpropane
InChI:
InChI=1S/C8H17O4PS2/c1-4-11-13(9,12-5-2)8(15-10)6-7-14-3/h4-7H2,1-3H3
InChI Key:
OYMZHIFURZDUPG-UHFFFAOYSA-N
SMILES:
CSCCC(=S=O)P(=O)(OCC)OCC
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.314g/mol
Monoisotopic Mass:
272.031g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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