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15043-63-7 | Phosphorothioic acid, O,O-dimethyl O-[2-methyl-5-(1-methylethyl)phenyl] ester
CAS No: 15043-63-7 Catalog No: AG001MMF MDL No:
Product Description
Catalog Number:
AG001MMF
Chemical Name:
Phosphorothioic acid, O,O-dimethyl O-[2-methyl-5-(1-methylethyl)phenyl] ester
CAS Number:
15043-63-7
Molecular Formula:
C12H19O3PS
Molecular Weight:
274.3162
IUPAC Name:
dimethoxy-(2-methyl-5-propan-2-ylphenoxy)-sulfanylidene-λ5-phosphane
InChI:
InChI=1S/C12H19O3PS/c1-9(2)11-7-6-10(3)12(8-11)15-16(17,13-4)14-5/h6-9H,1-5H3
InChI Key:
GVNHAMVMELYILJ-UHFFFAOYSA-N
SMILES:
COP(=S)(Oc1cc(ccc1C)C(C)C)OC
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.315g/mol
Monoisotopic Mass:
274.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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