2-[3-[3-(2-sulfanylethylsulfanyl)propoxy]propylsulfanyl]ethanethiol

C10H22OS4 — CID 139710761

IUPAC2-[3-[3-(2-sulfanylethylsulfanyl)propoxy]propylsulfanyl]ethanethiol
SMILESSCCSCCCOCCCSCCS
InChIInChI=1S/C10H22OS4/c12-5-9-14-7-1-3-11-4-2-8-15-10-6-13/h12-13H,1-10H2
InChIKeyHQFKCRRLUFUQJL-UHFFFAOYSA-N
MW286.55 g/mol
LogP3.11
Rot. Bonds12

About 2-[3-[3-(2-sulfanylethylsulfanyl)propoxy]propylsulfanyl]ethanethiol

2-[3-[3-(2-sulfanylethylsulfanyl)propoxy]propylsulfanyl]ethanethiol (PubChem CID 139710761) has the molecular formula C10H22OS4 and a molecular weight of 286.55 g/mol. Its IUPAC name is 2-[3-[3-(2-sulfanylethylsulfanyl)propoxy]propylsulfanyl]ethanethiol.

Molecular Properties

Compound Name2-[3-[3-(2-sulfanylethylsulfanyl)propoxy]propylsulfanyl]ethanethiol
PubChem CID139710761
Molecular FormulaC10H22OS4
Molecular Weight286.55 g/mol
Exact Mass286.06
IUPAC Name2-[3-[3-(2-sulfanylethylsulfanyl)propoxy]propylsulfanyl]ethanethiol
SMILESSCCSCCCOCCCSCCS
InChIInChI=1S/C10H22OS4/c12-5-9-14-7-1-3-11-4-2-8-15-10-6-13/h12-13H,1-10H2
InChIKeyHQFKCRRLUFUQJL-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.55
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-[3-(2-sulfanylethylsulfanyl)propoxy]propylsulfanyl]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

2-(2-sulfanylethylsulfanyl)ethanethiol
CID 89313137
2-[2-[2-[3-[4-[4-[3-[2-[2-(2-sulfanylethylsulfanyl)ethoxy]ethylsulfanyl]propoxy]phenoxy]phenoxy]propylsulfanyl]ethoxy]ethylsulfanyl]ethanethiol
CID 164732329
3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol
CID 139816250
2-[4-(disulfanyl)butylsulfanyl]ethanethiol
CID 150312826
2-butylsulfanylethanethiol
CID 3613970
3-[2-[5-(3-sulfanylpropylsulfanyl)pentoxy]ethylsulfanyl]propan-1-ol
CID 23500295
3-[3-[3-[2-[2-[3-[2-[2-[3-[3-(3-sulfanylpropylsulfanyl)propylsulfanyl]propylsulfanyl]ethoxy]ethoxy]-2,2-bis[2-[2-[3-[3-(3-sulfanylpropylsulfanyl)propylsulfanyl]propylsulfanyl]ethoxy]ethoxymethyl]propoxy]ethoxy]ethylsulfanyl]propylsulfanyl]propylsulfanyl]propane-1-thiol
CID 153301770
2-[2-[3-[4-[4-[3-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]propoxy]phenyl]sulfanylphenoxy]propylsulfanyl]ethylsulfanyl]ethanethiol
CID 154988686
1,3-bis[3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethoxy]ethylsulfanyl]propyl]imidazolidin-2-one
CID 154988674
2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol
CID 158899446
2-dodecylsulfanylethanethiol
CID 19846581
2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol
CID 160544641

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-sulfanylethylsulfanyl)propoxy]propylsulfanyl]ethanethiol?
The IUPAC name of 2-[3-[3-(2-sulfanylethylsulfanyl)propoxy]propylsulfanyl]ethanethiol (CID 139710761) is 2-[3-[3-(2-sulfanylethylsulfanyl)propoxy]propylsulfanyl]ethanethiol.
What is the SMILES notation for 2-[3-[3-(2-sulfanylethylsulfanyl)propoxy]propylsulfanyl]ethanethiol?
The canonical SMILES for 2-[3-[3-(2-sulfanylethylsulfanyl)propoxy]propylsulfanyl]ethanethiol is SCCSCCCOCCCSCCS.
What is the InChIKey of 2-[3-[3-(2-sulfanylethylsulfanyl)propoxy]propylsulfanyl]ethanethiol?
The InChIKey is HQFKCRRLUFUQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS4/c12-5-9-14-7-1-3-11-4-2-8-15-10-6-13/h12-13H,1-10H2.
What are the key properties of 2-[3-[3-(2-sulfanylethylsulfanyl)propoxy]propylsulfanyl]ethanethiol?
2-[3-[3-(2-sulfanylethylsulfanyl)propoxy]propylsulfanyl]ethanethiol has a molecular weight of 286.55 g/mol, XLogP of 3.11, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-sulfanylethylsulfanyl)propoxy]propylsulfanyl]ethanethiol is sourced from PubChem (CID 139710761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).