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

C6H14O2S2 — CID 87089892

IUPAC1-[2-(1-sulfanylethoxy)ethoxy]ethanethiol
SMILESCC(S)OCCOC(C)S
InChIInChI=1S/C6H14O2S2/c1-5(9)7-3-4-8-6(2)10/h5-6,9-10H,3-4H2,1-2H3
InChIKeyBDDGMTAPBBLSAN-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.57
Rot. Bonds5

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

1-[2-(1-sulfanylethoxy)ethoxy]ethanethiol (PubChem CID 87089892) has the molecular formula C6H14O2S2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-[2-(1-sulfanylethoxy)ethoxy]ethanethiol.

Molecular Properties

Compound Name1-[2-(1-sulfanylethoxy)ethoxy]ethanethiol
PubChem CID87089892
Molecular FormulaC6H14O2S2
Molecular Weight182.31 g/mol
Exact Mass182.04
IUPAC Name1-[2-(1-sulfanylethoxy)ethoxy]ethanethiol
SMILESCC(S)OCCOC(C)S
InChIInChI=1S/C6H14O2S2/c1-5(9)7-3-4-8-6(2)10/h5-6,9-10H,3-4H2,1-2H3
InChIKeyBDDGMTAPBBLSAN-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-[2-(1-sulfanylethoxy)ethoxy]ethanethiol?
The IUPAC name of 1-[2-(1-sulfanylethoxy)ethoxy]ethanethiol (CID 87089892) is 1-[2-(1-sulfanylethoxy)ethoxy]ethanethiol.
What is the SMILES notation for 1-[2-(1-sulfanylethoxy)ethoxy]ethanethiol?
The canonical SMILES for 1-[2-(1-sulfanylethoxy)ethoxy]ethanethiol is CC(S)OCCOC(C)S.
What is the InChIKey of 1-[2-(1-sulfanylethoxy)ethoxy]ethanethiol?
The InChIKey is BDDGMTAPBBLSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S2/c1-5(9)7-3-4-8-6(2)10/h5-6,9-10H,3-4H2,1-2H3.
What are the key properties of 1-[2-(1-sulfanylethoxy)ethoxy]ethanethiol?
1-[2-(1-sulfanylethoxy)ethoxy]ethanethiol has a molecular weight of 182.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-sulfanylethoxy)ethoxy]ethanethiol is sourced from PubChem (CID 87089892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).