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

C12H28O4S4 — CID 159182397

IUPAC2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol
SMILESSCCOCCOCCS.SCCOCCOCCS
InChIInChI=1S/2C6H14O2S2/c2*9-5-3-7-1-2-8-4-6-10/h2*9-10H,1-6H2
InChIKeyKNBJQHMNZVLYGH-UHFFFAOYSA-N
MW364.62 g/mol
LogP1.76
Rot. Bonds14

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

2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol (PubChem CID 159182397) has the molecular formula C12H28O4S4 and a molecular weight of 364.62 g/mol. Its IUPAC name is 2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol.

Molecular Properties

Compound Name2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol
PubChem CID159182397
Molecular FormulaC12H28O4S4
Molecular Weight364.62 g/mol
Exact Mass364.09
IUPAC Name2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol
SMILESSCCOCCOCCS.SCCOCCOCCS
InChIInChI=1S/2C6H14O2S2/c2*9-5-3-7-1-2-8-4-6-10/h2*9-10H,1-6H2
InChIKeyKNBJQHMNZVLYGH-UHFFFAOYSA-N
XLogP1.76
TPSA36.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 172913565
CID 172913565
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 86092592
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139253107
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 138393049
3-(2-sulfanylethoxy)propane-1-thiol
CID 56989833
2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 59079398
3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal
CID 122674478
3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 142541939
3-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 121233560
2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol
CID 174804995
acetic acid;2-(2-sulfanylethoxy)ethanethiol
CID 162307882
2-(2,2,2-trifluoroethoxy)ethanethiol
CID 61490314

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol?
The IUPAC name of 2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol (CID 159182397) is 2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol.
What is the SMILES notation for 2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol?
The canonical SMILES for 2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol is SCCOCCOCCS.SCCOCCOCCS.
What is the InChIKey of 2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol?
The InChIKey is KNBJQHMNZVLYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14O2S2/c2*9-5-3-7-1-2-8-4-6-10/h2*9-10H,1-6H2.
What are the key properties of 2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol?
2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol has a molecular weight of 364.62 g/mol, XLogP of 1.76, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol is sourced from PubChem (CID 159182397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).