ethylsulfanyl(propylsulfanylmethyl)phosphane

C6H15PS2 — CID 170850901

IUPACethylsulfanyl(propylsulfanylmethyl)phosphane
SMILESCCCSCPSCC
InChIInChI=1S/C6H15PS2/c1-3-5-8-6-7-9-4-2/h7H,3-6H2,1-2H3
InChIKeyFSEDLTWJXKOMNL-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.43
Rot. Bonds6

About ethylsulfanyl(propylsulfanylmethyl)phosphane

ethylsulfanyl(propylsulfanylmethyl)phosphane (PubChem CID 170850901) has the molecular formula C6H15PS2 and a molecular weight of 182.29 g/mol. Its IUPAC name is ethylsulfanyl(propylsulfanylmethyl)phosphane.

Molecular Properties

Compound Nameethylsulfanyl(propylsulfanylmethyl)phosphane
PubChem CID170850901
Molecular FormulaC6H15PS2
Molecular Weight182.29 g/mol
Exact Mass182.04
IUPAC Nameethylsulfanyl(propylsulfanylmethyl)phosphane
SMILESCCCSCPSCC
InChIInChI=1S/C6H15PS2/c1-3-5-8-6-7-9-4-2/h7H,3-6H2,1-2H3
InChIKeyFSEDLTWJXKOMNL-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethylsulfanyl(propylsulfanylmethyl)phosphane?
The IUPAC name of ethylsulfanyl(propylsulfanylmethyl)phosphane (CID 170850901) is ethylsulfanyl(propylsulfanylmethyl)phosphane.
What is the SMILES notation for ethylsulfanyl(propylsulfanylmethyl)phosphane?
The canonical SMILES for ethylsulfanyl(propylsulfanylmethyl)phosphane is CCCSCPSCC.
What is the InChIKey of ethylsulfanyl(propylsulfanylmethyl)phosphane?
The InChIKey is FSEDLTWJXKOMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15PS2/c1-3-5-8-6-7-9-4-2/h7H,3-6H2,1-2H3.
What are the key properties of ethylsulfanyl(propylsulfanylmethyl)phosphane?
ethylsulfanyl(propylsulfanylmethyl)phosphane has a molecular weight of 182.29 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanyl(propylsulfanylmethyl)phosphane is sourced from PubChem (CID 170850901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).