2-ethylsulfanyloxane

C7H14OS — CID 543742

IUPAC2-ethylsulfanyloxane
SMILESCCSC1CCCCO1
InChIInChI=1S/C7H14OS/c1-2-9-7-5-3-4-6-8-7/h7H,2-6H2,1H3
InChIKeyFEXFEHVMYWGPSJ-UHFFFAOYSA-N
MW146.25 g/mol
LogP2.27
Rot. Bonds2

About 2-ethylsulfanyloxane

2-ethylsulfanyloxane (PubChem CID 543742) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-ethylsulfanyloxane.

Molecular Properties

Compound Name2-ethylsulfanyloxane
PubChem CID543742
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-ethylsulfanyloxane
SMILESCCSC1CCCCO1
InChIInChI=1S/C7H14OS/c1-2-9-7-5-3-4-6-8-7/h7H,2-6H2,1H3
InChIKeyFEXFEHVMYWGPSJ-UHFFFAOYSA-N
XLogP2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyloxane?
The IUPAC name of 2-ethylsulfanyloxane (CID 543742) is 2-ethylsulfanyloxane.
What is the SMILES notation for 2-ethylsulfanyloxane?
The canonical SMILES for 2-ethylsulfanyloxane is CCSC1CCCCO1.
What is the InChIKey of 2-ethylsulfanyloxane?
The InChIKey is FEXFEHVMYWGPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-2-9-7-5-3-4-6-8-7/h7H,2-6H2,1H3.
What are the key properties of 2-ethylsulfanyloxane?
2-ethylsulfanyloxane has a molecular weight of 146.25 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyloxane is sourced from PubChem (CID 543742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).