2-[1-(2-sulfanylethoxy)ethoxy]ethanethiol

C6H14O2S2 — CID 22992648

IUPAC2-[1-(2-sulfanylethoxy)ethoxy]ethanethiol
SMILESCC(OCCS)OCCS
InChIInChI=1S/C6H14O2S2/c1-6(7-2-4-9)8-3-5-10/h6,9-10H,2-5H2,1H3
InChIKeyYODYISMIEYHZBB-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.23
Rot. Bonds6

About 2-[1-(2-sulfanylethoxy)ethoxy]ethanethiol

2-[1-(2-sulfanylethoxy)ethoxy]ethanethiol (PubChem CID 22992648) has the molecular formula C6H14O2S2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-[1-(2-sulfanylethoxy)ethoxy]ethanethiol.

Molecular Properties

Compound Name2-[1-(2-sulfanylethoxy)ethoxy]ethanethiol
PubChem CID22992648
Molecular FormulaC6H14O2S2
Molecular Weight182.31 g/mol
Exact Mass182.04
IUPAC Name2-[1-(2-sulfanylethoxy)ethoxy]ethanethiol
SMILESCC(OCCS)OCCS
InChIInChI=1S/C6H14O2S2/c1-6(7-2-4-9)8-3-5-10/h6,9-10H,2-5H2,1H3
InChIKeyYODYISMIEYHZBB-UHFFFAOYSA-N
XLogP1.23
TPSA18.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-sulfanylethoxy)ethoxy]ethanethiol?
The IUPAC name of 2-[1-(2-sulfanylethoxy)ethoxy]ethanethiol (CID 22992648) is 2-[1-(2-sulfanylethoxy)ethoxy]ethanethiol.
What is the SMILES notation for 2-[1-(2-sulfanylethoxy)ethoxy]ethanethiol?
The canonical SMILES for 2-[1-(2-sulfanylethoxy)ethoxy]ethanethiol is CC(OCCS)OCCS.
What is the InChIKey of 2-[1-(2-sulfanylethoxy)ethoxy]ethanethiol?
The InChIKey is YODYISMIEYHZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S2/c1-6(7-2-4-9)8-3-5-10/h6,9-10H,2-5H2,1H3.
What are the key properties of 2-[1-(2-sulfanylethoxy)ethoxy]ethanethiol?
2-[1-(2-sulfanylethoxy)ethoxy]ethanethiol has a molecular weight of 182.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-sulfanylethoxy)ethoxy]ethanethiol is sourced from PubChem (CID 22992648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).