diethoxy-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane

C10H14F3N2O3PS2 — CID 14735406

IUPACdiethoxy-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)Oc1cc(C(F)(F)F)nc(SC)n1
InChIInChI=1S/C10H14F3N2O3PS2/c1-4-16-19(20,17-5-2)18-8-6-7(10(11,12)13)14-9(15-8)21-3/h6H,4-5H2,1-3H3
InChIKeyPWHLSJYDDMPVMZ-UHFFFAOYSA-N
MW362.34 g/mol
LogP3.89
Rot. Bonds7

About diethoxy-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane

diethoxy-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane (PubChem CID 14735406) has the molecular formula C10H14F3N2O3PS2 and a molecular weight of 362.34 g/mol. Its IUPAC name is diethoxy-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane
PubChem CID14735406
Molecular FormulaC10H14F3N2O3PS2
Molecular Weight362.34 g/mol
Exact Mass362.01
IUPAC Namediethoxy-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)Oc1cc(C(F)(F)F)nc(SC)n1
InChIInChI=1S/C10H14F3N2O3PS2/c1-4-16-19(20,17-5-2)18-8-6-7(10(11,12)13)14-9(15-8)21-3/h6H,4-5H2,1-3H3
InChIKeyPWHLSJYDDMPVMZ-UHFFFAOYSA-N
XLogP3.89
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxy-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane (CID 14735406) is diethoxy-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)Oc1cc(C(F)(F)F)nc(SC)n1.
What is the InChIKey of diethoxy-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane?
The InChIKey is PWHLSJYDDMPVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N2O3PS2/c1-4-16-19(20,17-5-2)18-8-6-7(10(11,12)13)14-9(15-8)21-3/h6H,4-5H2,1-3H3.
What are the key properties of diethoxy-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane?
diethoxy-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane has a molecular weight of 362.34 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 14735406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).