2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol

C8H20S7 — CID 158899446

IUPAC2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol
SMILESSCCSCCS.SCCSSCCS
InChIInChI=1S/C4H10S4.C4H10S3/c5-1-3-7-8-4-2-6;5-1-3-7-4-2-6/h5-6H,1-4H2;5-6H,1-4H2
InChIKeyJFGBYOCRFGWLKU-UHFFFAOYSA-N
MW340.72 g/mol
LogP3.81
Rot. Bonds9

About 2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol

2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol (PubChem CID 158899446) has the molecular formula C8H20S7 and a molecular weight of 340.72 g/mol. Its IUPAC name is 2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol.

Molecular Properties

Compound Name2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol
PubChem CID158899446
Molecular FormulaC8H20S7
Molecular Weight340.72 g/mol
Exact Mass339.96
IUPAC Name2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol
SMILESSCCSCCS.SCCSSCCS
InChIInChI=1S/C4H10S4.C4H10S3/c5-1-3-7-8-4-2-6;5-1-3-7-4-2-6/h5-6H,1-4H2;5-6H,1-4H2
InChIKeyJFGBYOCRFGWLKU-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.72
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-sulfanylethylsulfanyl)ethanethiol
CID 89313137
2-[2-[2-[2-[2-(disulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]ethanethiol
CID 162484448
2-(2-aminoethylsulfanyl)ethanethiol
CID 12539289
3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol
CID 139816250
3-[2-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1,2-dithiol
CID 146406075
2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol
CID 159661309
2-butylsulfanylethanethiol
CID 3613970
2-[4-(disulfanyl)butylsulfanyl]ethanethiol
CID 150312826
2-[3-[3-(2-sulfanylethylsulfanyl)propoxy]propylsulfanyl]ethanethiol
CID 139710761
2-dodecylsulfanylethanethiol
CID 19846581
2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol
CID 160544641
2-[3-[bis[3-(2-sulfanylethylsulfanyl)propyl]-[7-[tris[3-(2-sulfanylethylsulfanyl)propyl]silyl]heptyl]silyl]propylsulfanyl]ethanethiol
CID 167680304

Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol?
The IUPAC name of 2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol (CID 158899446) is 2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol.
What is the SMILES notation for 2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol?
The canonical SMILES for 2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol is SCCSCCS.SCCSSCCS.
What is the InChIKey of 2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol?
The InChIKey is JFGBYOCRFGWLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S4.C4H10S3/c5-1-3-7-8-4-2-6;5-1-3-7-4-2-6/h5-6H,1-4H2;5-6H,1-4H2.
What are the key properties of 2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol?
2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol has a molecular weight of 340.72 g/mol, XLogP of 3.81, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol is sourced from PubChem (CID 158899446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).