diethoxy-methyl-sulfanylidene-lambda5-phosphane

C5H13O2PS — CID 23426

IUPACdiethoxy-methyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(C)(=S)OCC
InChIInChI=1S/C5H13O2PS/c1-4-6-8(3,9)7-5-2/h4-5H2,1-3H3
InChIKeyGEDUXIUTPVHAAV-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.00
Rot. Bonds4

About diethoxy-methyl-sulfanylidene-lambda5-phosphane

diethoxy-methyl-sulfanylidene-lambda5-phosphane (PubChem CID 23426) has the molecular formula C5H13O2PS and a molecular weight of 168.20 g/mol. Its IUPAC name is diethoxy-methyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-methyl-sulfanylidene-lambda5-phosphane
PubChem CID23426
Molecular FormulaC5H13O2PS
Molecular Weight168.20 g/mol
Exact Mass168.04
IUPAC Namediethoxy-methyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(C)(=S)OCC
InChIInChI=1S/C5H13O2PS/c1-4-6-8(3,9)7-5-2/h4-5H2,1-3H3
InChIKeyGEDUXIUTPVHAAV-UHFFFAOYSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze diethoxy-methyl-sulfanylidene-lambda5-phosphane 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

O,O-Diethyl dithiophosphate
CID 9274
Triethyl phosphite
CID 31215
O,O-diethyl phosphorochloridothioate
CID 17305
O,O-diethyl phosphorothioate
CID 655
Diethyl thiophosphate
CID 3683036
Dipropyl dithiophosphate
CID 16737
O-Ethyl methylphosphonothioate
CID 556615
o,o-diethyl thiophosphate potassium salt
CID 23664334
O,O',O''-Triethyl phosphorothioate
CID 31354
Diethyl methylphosphonate
CID 12685
Sodium diethyl phosphorodithioate
CID 11321726
Phosphorochloridothioic acid, O,O-dipropyl ester
CID 75651

Frequently Asked Questions

What is the IUPAC name of diethoxy-methyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-methyl-sulfanylidene-lambda5-phosphane (CID 23426) is diethoxy-methyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-methyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-methyl-sulfanylidene-lambda5-phosphane is CCOP(C)(=S)OCC.
What is the InChIKey of diethoxy-methyl-sulfanylidene-lambda5-phosphane?
The InChIKey is GEDUXIUTPVHAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2PS/c1-4-6-8(3,9)7-5-2/h4-5H2,1-3H3.
What are the key properties of diethoxy-methyl-sulfanylidene-lambda5-phosphane?
diethoxy-methyl-sulfanylidene-lambda5-phosphane has a molecular weight of 168.20 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 23426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).