1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane

C7H17O2PS3 — CID 23337985

IUPAC1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane
SMILESCCOP(=O)(SCC)SCSCC
InChIInChI=1S/C7H17O2PS3/c1-4-9-10(8,12-6-3)13-7-11-5-2/h4-7H2,1-3H3
InChIKeyPMXSNTCGLCPZLQ-UHFFFAOYSA-N
MW260.39 g/mol
LogP4.33
Rot. Bonds8

About 1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane

1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane (PubChem CID 23337985) has the molecular formula C7H17O2PS3 and a molecular weight of 260.39 g/mol. Its IUPAC name is 1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane
PubChem CID23337985
Molecular FormulaC7H17O2PS3
Molecular Weight260.39 g/mol
Exact Mass260.01
IUPAC Name1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane
SMILESCCOP(=O)(SCC)SCSCC
InChIInChI=1S/C7H17O2PS3/c1-4-9-10(8,12-6-3)13-7-11-5-2/h4-7H2,1-3H3
InChIKeyPMXSNTCGLCPZLQ-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane 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

1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane
CID 88780070
diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 87195358
diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 165360439
diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane;diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidene-λ5-phosphane
CID 87622218
cyclohexane;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
CID 23173070
1-[ethylsulfanyl(trifluoromethyl)phosphoryl]oxyethane
CID 13207021
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
[ethoxy(ethylsulfanyl)phosphinothioyl] diethyl phosphate
CID 22497723
barium(2+);ethyl phosphate
CID 12691393
diethyl [(E)-3-ethylsulfanylprop-1-enyl] phosphate
CID 6444524
2-[ethoxy(pentan-2-ylsulfanyl)phosphoryl]sulfanylpentane
CID 66524256

Frequently Asked Questions

What is the IUPAC name of 1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane?
The IUPAC name of 1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane (CID 23337985) is 1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane?
The canonical SMILES for 1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane is CCOP(=O)(SCC)SCSCC.
What is the InChIKey of 1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane?
The InChIKey is PMXSNTCGLCPZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O2PS3/c1-4-9-10(8,12-6-3)13-7-11-5-2/h4-7H2,1-3H3.
What are the key properties of 1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane?
1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane has a molecular weight of 260.39 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane is sourced from PubChem (CID 23337985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).