ethyl(ethylsulfanyl)phosphane

C4H11PS — CID 16699434

IUPACethyl(ethylsulfanyl)phosphane
SMILESCCPSCC
InChIInChI=1S/C4H11PS/c1-3-5-6-4-2/h5H,3-4H2,1-2H3
InChIKeyTYCFHRCRMRTMPU-UHFFFAOYSA-N
MW122.17 g/mol
LogP2.35
Rot. Bonds3

About ethyl(ethylsulfanyl)phosphane

ethyl(ethylsulfanyl)phosphane (PubChem CID 16699434) has the molecular formula C4H11PS and a molecular weight of 122.17 g/mol. Its IUPAC name is ethyl(ethylsulfanyl)phosphane.

Molecular Properties

Compound Nameethyl(ethylsulfanyl)phosphane
PubChem CID16699434
Molecular FormulaC4H11PS
Molecular Weight122.17 g/mol
Exact Mass122.03
IUPAC Nameethyl(ethylsulfanyl)phosphane
SMILESCCPSCC
InChIInChI=1S/C4H11PS/c1-3-5-6-4-2/h5H,3-4H2,1-2H3
InChIKeyTYCFHRCRMRTMPU-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl(ethylsulfanyl)phosphane?
The IUPAC name of ethyl(ethylsulfanyl)phosphane (CID 16699434) is ethyl(ethylsulfanyl)phosphane.
What is the SMILES notation for ethyl(ethylsulfanyl)phosphane?
The canonical SMILES for ethyl(ethylsulfanyl)phosphane is CCPSCC.
What is the InChIKey of ethyl(ethylsulfanyl)phosphane?
The InChIKey is TYCFHRCRMRTMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11PS/c1-3-5-6-4-2/h5H,3-4H2,1-2H3.
What are the key properties of ethyl(ethylsulfanyl)phosphane?
ethyl(ethylsulfanyl)phosphane has a molecular weight of 122.17 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(ethylsulfanyl)phosphane is sourced from PubChem (CID 16699434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).