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115-91-3 | Phosphorothioic acid, O,O-dimethyl O-[4-(methylsulfinyl)phenyl] ester
CAS No: 115-91-3 Catalog No: AG000FK8 MDL No:
Product Description
Catalog Number:
AG000FK8
Chemical Name:
Phosphorothioic acid, O,O-dimethyl O-[4-(methylsulfinyl)phenyl] ester
CAS Number:
115-91-3
Molecular Formula:
C9H13O4PS2
Molecular Weight:
280.3009
IUPAC Name:
dimethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C9H13O4PS2/c1-11-14(15,12-2)13-8-4-6-9(7-5-8)16(3)10/h4-7H,1-3H3
InChI Key:
DYAVFUPXPKGVQO-UHFFFAOYSA-N
SMILES:
COP(=S)(Oc1ccc(cc1)S(=O)C)OC
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.999g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.293g/mol
Monoisotopic Mass:
279.999g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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