dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane

C10H15O3PS2 — CID 3346

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IUPACdimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(OC)Oc1ccc(SC)c(C)c1
InChIInChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3
InChIKeyPNVJTZOFSHSLTO-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.61
Rot. Bonds5

About dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane

dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane (PubChem CID 3346) has the molecular formula C10H15O3PS2 and a molecular weight of 278.34 g/mol. Its IUPAC name is dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane
PubChem CID3346
Molecular FormulaC10H15O3PS2
Molecular Weight278.34 g/mol
Exact Mass278.02
IUPAC Namedimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(OC)Oc1ccc(SC)c(C)c1
InChIInChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3
InChIKeyPNVJTZOFSHSLTO-UHFFFAOYSA-N
XLogP3.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Fenamiphos
CID 31070
Sulprofos
CID 37125
Phosphonothioic acid, methyl-, O-ethyl O-(4-(methylthio)phenyl) ester
CID 17612
Mesulfenfos
CID 19577
3-Methyl-4-(methylthio)phenol
CID 18391
Fenthion sulfone
CID 19578
Fenthion oxon
CID 23046
Fenoxon sulfoxide
CID 23047
Fenoxon sulfone
CID 26449
Fenthion-ethyl
CID 74390
3-Methyl-4-(methylsulfonyl)phenol
CID 167048
Phosphorothioic acid, O-(3,5-dimethyl-4-(methylthio)phenyl) O,O-dimethyl ester
CID 66128

Frequently Asked Questions

What is the IUPAC name of dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane?
The IUPAC name of dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane (CID 3346) is dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane is COP(=S)(OC)Oc1ccc(SC)c(C)c1.
What is the InChIKey of dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane?
The InChIKey is PNVJTZOFSHSLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3.
What are the key properties of dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane?
dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane has a molecular weight of 278.34 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).