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2635-50-9 | Phosphorothioic acid, O,O-dimethyl S-[2-[(1-methylethyl)sulfinyl]ethyl] ester
CAS No: 2635-50-9 Catalog No: AG002SUT MDL No:
Product Description
Catalog Number:
AG002SUT
Chemical Name:
Phosphorothioic acid, O,O-dimethyl S-[2-[(1-methylethyl)sulfinyl]ethyl] ester
CAS Number:
2635-50-9
Molecular Formula:
C7H17O4PS2
Molecular Weight:
260.3112
IUPAC Name:
2-(2-dimethoxyphosphorylsulfanylethylsulfinyl)propane
InChI:
InChI=1S/C7H17O4PS2/c1-7(2)14(9)6-5-13-12(8,10-3)11-4/h7H,5-6H2,1-4H3
InChI Key:
GDDHVJODJUDRGI-UHFFFAOYSA-N
SMILES:
COP(=O)(SCCS(=O)C(C)C)OC
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.303g/mol
Monoisotopic Mass:
260.031g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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