4-[2-(2-sulfanylethoxy)ethoxy]butane-1-thiol

C8H18O2S2 — CID 20612687

IUPAC4-[2-(2-sulfanylethoxy)ethoxy]butane-1-thiol
SMILESSCCCCOCCOCCS
InChIInChI=1S/C8H18O2S2/c11-7-2-1-3-9-4-5-10-6-8-12/h11-12H,1-8H2
InChIKeyGDAPHZKQKBDFIY-UHFFFAOYSA-N
MW210.36 g/mol
LogP1.66
Rot. Bonds9

About 4-[2-(2-sulfanylethoxy)ethoxy]butane-1-thiol

4-[2-(2-sulfanylethoxy)ethoxy]butane-1-thiol (PubChem CID 20612687) has the molecular formula C8H18O2S2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-[2-(2-sulfanylethoxy)ethoxy]butane-1-thiol.

Molecular Properties

Compound Name4-[2-(2-sulfanylethoxy)ethoxy]butane-1-thiol
PubChem CID20612687
Molecular FormulaC8H18O2S2
Molecular Weight210.36 g/mol
Exact Mass210.07
IUPAC Name4-[2-(2-sulfanylethoxy)ethoxy]butane-1-thiol
SMILESSCCCCOCCOCCS
InChIInChI=1S/C8H18O2S2/c11-7-2-1-3-9-4-5-10-6-8-12/h11-12H,1-8H2
InChIKeyGDAPHZKQKBDFIY-UHFFFAOYSA-N
XLogP1.66
TPSA18.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-sulfanylethoxy)ethoxy]butane-1-thiol?
The IUPAC name of 4-[2-(2-sulfanylethoxy)ethoxy]butane-1-thiol (CID 20612687) is 4-[2-(2-sulfanylethoxy)ethoxy]butane-1-thiol.
What is the SMILES notation for 4-[2-(2-sulfanylethoxy)ethoxy]butane-1-thiol?
The canonical SMILES for 4-[2-(2-sulfanylethoxy)ethoxy]butane-1-thiol is SCCCCOCCOCCS.
What is the InChIKey of 4-[2-(2-sulfanylethoxy)ethoxy]butane-1-thiol?
The InChIKey is GDAPHZKQKBDFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2S2/c11-7-2-1-3-9-4-5-10-6-8-12/h11-12H,1-8H2.
What are the key properties of 4-[2-(2-sulfanylethoxy)ethoxy]butane-1-thiol?
4-[2-(2-sulfanylethoxy)ethoxy]butane-1-thiol has a molecular weight of 210.36 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-sulfanylethoxy)ethoxy]butane-1-thiol is sourced from PubChem (CID 20612687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).