2,4-bis(ethylsulfanyl)oxane

C9H18OS2 — CID 139864424

IUPAC2,4-bis(ethylsulfanyl)oxane
SMILESCCSC1CCOC(SCC)C1
InChIInChI=1S/C9H18OS2/c1-3-11-8-5-6-10-9(7-8)12-4-2/h8-9H,3-7H2,1-2H3
InChIKeyBAGITZOSCUGNFK-UHFFFAOYSA-N
MW206.38 g/mol
LogP3.00
Rot. Bonds4

About 2,4-bis(ethylsulfanyl)oxane

2,4-bis(ethylsulfanyl)oxane (PubChem CID 139864424) has the molecular formula C9H18OS2 and a molecular weight of 206.38 g/mol. Its IUPAC name is 2,4-bis(ethylsulfanyl)oxane.

Molecular Properties

Compound Name2,4-bis(ethylsulfanyl)oxane
PubChem CID139864424
Molecular FormulaC9H18OS2
Molecular Weight206.38 g/mol
Exact Mass206.08
IUPAC Name2,4-bis(ethylsulfanyl)oxane
SMILESCCSC1CCOC(SCC)C1
InChIInChI=1S/C9H18OS2/c1-3-11-8-5-6-10-9(7-8)12-4-2/h8-9H,3-7H2,1-2H3
InChIKeyBAGITZOSCUGNFK-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(ethylsulfanyl)oxane?
The IUPAC name of 2,4-bis(ethylsulfanyl)oxane (CID 139864424) is 2,4-bis(ethylsulfanyl)oxane.
What is the SMILES notation for 2,4-bis(ethylsulfanyl)oxane?
The canonical SMILES for 2,4-bis(ethylsulfanyl)oxane is CCSC1CCOC(SCC)C1.
What is the InChIKey of 2,4-bis(ethylsulfanyl)oxane?
The InChIKey is BAGITZOSCUGNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS2/c1-3-11-8-5-6-10-9(7-8)12-4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,4-bis(ethylsulfanyl)oxane?
2,4-bis(ethylsulfanyl)oxane has a molecular weight of 206.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(ethylsulfanyl)oxane is sourced from PubChem (CID 139864424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).