(tetraethyl-λ5-phosphanyl) 3-methylsulfanylpropanoate

C12H27O2PS — CID 118645237

IUPAC(tetraethyl-λ5-phosphanyl) 3-methylsulfanylpropanoate
SMILESCCP(CC)(CC)(CC)OC(=O)CCSC
InChIInChI=1S/C12H27O2PS/c1-6-15(7-2,8-3,9-4)14-12(13)10-11-16-5/h6-11H2,1-5H3
InChIKeyZRRXFRWEIJFYAX-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.83
Rot. Bonds8

About (tetraethyl-λ5-phosphanyl) 3-methylsulfanylpropanoate

(tetraethyl-λ5-phosphanyl) 3-methylsulfanylpropanoate (PubChem CID 118645237) has the molecular formula C12H27O2PS and a molecular weight of 266.39 g/mol. Its IUPAC name is (tetraethyl-λ5-phosphanyl) 3-methylsulfanylpropanoate.

Molecular Properties

Compound Name(tetraethyl-λ5-phosphanyl) 3-methylsulfanylpropanoate
PubChem CID118645237
Molecular FormulaC12H27O2PS
Molecular Weight266.39 g/mol
Exact Mass266.15
IUPAC Name(tetraethyl-λ5-phosphanyl) 3-methylsulfanylpropanoate
SMILESCCP(CC)(CC)(CC)OC(=O)CCSC
InChIInChI=1S/C12H27O2PS/c1-6-15(7-2,8-3,9-4)14-12(13)10-11-16-5/h6-11H2,1-5H3
InChIKeyZRRXFRWEIJFYAX-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (tetraethyl-λ5-phosphanyl) 3-methylsulfanylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylsulfanylpropanoyl hexadecaneperoxoate
CID 162488789
2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate
CID 172537073
octadecyl 3-methylsulfanylpropanoate
CID 22981932
octyl 3-methylsulfanylpropanoate
CID 22981933
[3,6-diethyl-6-(2-methylsulfanylacetyl)oxyoctan-3-yl] 3-methylsulfanylpropanoate
CID 59440711
sodium;hydride;4-methylsulfanylbutan-2-one
CID 175274491
3-methylsulfanyl-N-propylpropanamide
CID 60637635
1-methylsulfanyltridecan-3-one
CID 105091587
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylsulfanylpropanamide
CID 104630014
2,2-difluoro-4-methyl-3-(3-methylsulfanylpropanoyloxy)pentanoate
CID 168744820
[2-(3-methylsulfanylpropanoyloxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] 3-methylsulfanylpropanoate
CID 166939843
sodium 4-methylsulfanyl-2-oxobutan-1-olate
CID 87390153

Frequently Asked Questions

What is the IUPAC name of (tetraethyl-λ5-phosphanyl) 3-methylsulfanylpropanoate?
The IUPAC name of (tetraethyl-λ5-phosphanyl) 3-methylsulfanylpropanoate (CID 118645237) is (tetraethyl-λ5-phosphanyl) 3-methylsulfanylpropanoate.
What is the SMILES notation for (tetraethyl-λ5-phosphanyl) 3-methylsulfanylpropanoate?
The canonical SMILES for (tetraethyl-λ5-phosphanyl) 3-methylsulfanylpropanoate is CCP(CC)(CC)(CC)OC(=O)CCSC.
What is the InChIKey of (tetraethyl-λ5-phosphanyl) 3-methylsulfanylpropanoate?
The InChIKey is ZRRXFRWEIJFYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O2PS/c1-6-15(7-2,8-3,9-4)14-12(13)10-11-16-5/h6-11H2,1-5H3.
What are the key properties of (tetraethyl-λ5-phosphanyl) 3-methylsulfanylpropanoate?
(tetraethyl-λ5-phosphanyl) 3-methylsulfanylpropanoate has a molecular weight of 266.39 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (tetraethyl-λ5-phosphanyl) 3-methylsulfanylpropanoate is sourced from PubChem (CID 118645237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).