1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane

C6H15O3PS2 — CID 13526

IUPAC1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane
SMILESCCSCCSP(=O)(OC)OC
InChIInChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3
InChIKeyWEBQKRLKWNIYKK-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.87
Rot. Bonds7

About 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane

1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane (PubChem CID 13526) has the molecular formula C6H15O3PS2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane.

Molecular Properties

Compound Name1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane
PubChem CID13526
Molecular FormulaC6H15O3PS2
Molecular Weight230.29 g/mol
Exact Mass230.02
IUPAC Name1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane
SMILESCCSCCSP(=O)(OC)OC
InChIInChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3
InChIKeyWEBQKRLKWNIYKK-UHFFFAOYSA-N
XLogP2.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane?
The IUPAC name of 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane (CID 13526) is 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane.
What is the SMILES notation for 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane?
The canonical SMILES for 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane is CCSCCSP(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane?
The InChIKey is WEBQKRLKWNIYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3.
What are the key properties of 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane?
1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane has a molecular weight of 230.29 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane is sourced from PubChem (CID 13526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).