dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane

C10H15OPS — CID 58637364

IUPACdimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane
SMILESCP(C)(=S)OCCc1ccccc1
InChIInChI=1S/C10H15OPS/c1-12(2,13)11-9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyBBWNOHXRJVRYSG-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.90
Rot. Bonds4

About dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane

dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane (PubChem CID 58637364) has the molecular formula C10H15OPS and a molecular weight of 214.27 g/mol. Its IUPAC name is dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane
PubChem CID58637364
Molecular FormulaC10H15OPS
Molecular Weight214.27 g/mol
Exact Mass214.06
IUPAC Namedimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane
SMILESCP(C)(=S)OCCc1ccccc1
InChIInChI=1S/C10H15OPS/c1-12(2,13)11-9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyBBWNOHXRJVRYSG-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethylbenzene
CID 19089
2-[amino(butan-2-ylsulfanyl)phosphinothioyl]oxyethylbenzene
CID 149251596
2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene
CID 87083912
dihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane
CID 150954561
CID 58731637
CID 58731637
2-(2-diethylphosphorylethenoxy)ethylbenzene
CID 71326502
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491
dimethyl(2-phenylethoxy)phosphane
CID 141159269
CID 70626628
CID 70626628
CID 11412729
CID 11412729
benzene;2-phenylethylbenzene
CID 18982764
2-(2-methoxyethoxy)ethylbenzene
CID 21135488

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane (CID 58637364) is dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane is CP(C)(=S)OCCc1ccccc1.
What is the InChIKey of dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is BBWNOHXRJVRYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15OPS/c1-12(2,13)11-9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane?
dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 214.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 58637364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).