1-[ethylsulfanyl(methyl)phosphoryl]sulfanylethane

C5H13OPS2 — CID 565315

IUPAC1-[ethylsulfanyl(methyl)phosphoryl]sulfanylethane
SMILESCCSP(C)(=O)SCC
InChIInChI=1S/C5H13OPS2/c1-4-8-7(3,6)9-5-2/h4-5H2,1-3H3
InChIKeyCLIRIVRLTUOCNL-UHFFFAOYSA-N
MW184.27 g/mol
LogP3.32
Rot. Bonds4

About 1-[ethylsulfanyl(methyl)phosphoryl]sulfanylethane

1-[ethylsulfanyl(methyl)phosphoryl]sulfanylethane (PubChem CID 565315) has the molecular formula C5H13OPS2 and a molecular weight of 184.27 g/mol. Its IUPAC name is 1-[ethylsulfanyl(methyl)phosphoryl]sulfanylethane.

Molecular Properties

Compound Name1-[ethylsulfanyl(methyl)phosphoryl]sulfanylethane
PubChem CID565315
Molecular FormulaC5H13OPS2
Molecular Weight184.27 g/mol
Exact Mass184.01
IUPAC Name1-[ethylsulfanyl(methyl)phosphoryl]sulfanylethane
SMILESCCSP(C)(=O)SCC
InChIInChI=1S/C5H13OPS2/c1-4-8-7(3,6)9-5-2/h4-5H2,1-3H3
InChIKeyCLIRIVRLTUOCNL-UHFFFAOYSA-N
XLogP3.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[ethylsulfanyl(methyl)phosphoryl]sulfanylethane?
The IUPAC name of 1-[ethylsulfanyl(methyl)phosphoryl]sulfanylethane (CID 565315) is 1-[ethylsulfanyl(methyl)phosphoryl]sulfanylethane.
What is the SMILES notation for 1-[ethylsulfanyl(methyl)phosphoryl]sulfanylethane?
The canonical SMILES for 1-[ethylsulfanyl(methyl)phosphoryl]sulfanylethane is CCSP(C)(=O)SCC.
What is the InChIKey of 1-[ethylsulfanyl(methyl)phosphoryl]sulfanylethane?
The InChIKey is CLIRIVRLTUOCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13OPS2/c1-4-8-7(3,6)9-5-2/h4-5H2,1-3H3.
What are the key properties of 1-[ethylsulfanyl(methyl)phosphoryl]sulfanylethane?
1-[ethylsulfanyl(methyl)phosphoryl]sulfanylethane has a molecular weight of 184.27 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethylsulfanyl(methyl)phosphoryl]sulfanylethane is sourced from PubChem (CID 565315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).