2-[2-[2-[2-[2-(disulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]ethanethiol

C10H22S9 — CID 162484448

IUPAC2-[2-[2-[2-[2-(disulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]ethanethiol
SMILESSCCSSCCSCCSSCCSCCSS
InChIInChI=1S/C10H22S9/c11-1-2-16-17-8-5-14-6-10-19-18-9-4-13-3-7-15-12/h11-12H,1-10H2
InChIKeySETDMHHTRWCACZ-UHFFFAOYSA-N
MW430.89 g/mol
LogP5.72
Rot. Bonds16

About 2-[2-[2-[2-[2-(disulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]ethanethiol

2-[2-[2-[2-[2-(disulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]ethanethiol (PubChem CID 162484448) has the molecular formula C10H22S9 and a molecular weight of 430.89 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(disulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]ethanethiol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(disulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]ethanethiol
PubChem CID162484448
Molecular FormulaC10H22S9
Molecular Weight430.89 g/mol
Exact Mass429.92
IUPAC Name2-[2-[2-[2-[2-(disulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]ethanethiol
SMILESSCCSSCCSCCSSCCSCCSS
InChIInChI=1S/C10H22S9/c11-1-2-16-17-8-5-14-6-10-19-18-9-4-13-3-7-15-12/h11-12H,1-10H2
InChIKeySETDMHHTRWCACZ-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.89
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol
CID 158899446
2-[4-(disulfanyl)butylsulfanyl]ethanethiol
CID 150312826
2-(2-sulfanylethylsulfanyl)ethanethiol
CID 89313137
3-[2-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1,2-dithiol
CID 146406075
3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol
CID 139816250
3-(disulfanyl)propane-1-thiol
CID 101216787
2-(2-aminoethylsulfanyl)ethanethiol
CID 12539289
2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol
CID 159661309
2-[2-[[4,6-bis[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]-1,3,5-trithian-2-yl]sulfanyl]ethylsulfanyl]ethanethiol
CID 87499184
1-(methyldisulfanyl)-2-[2-(methyldisulfanyl)ethylsulfanyl]ethane
CID 165390493
2-butylsulfanylethanethiol
CID 3613970
methyl-(2-sulfanylethyl)-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyl]sulfanium
CID 172790790

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(disulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]ethanethiol?
The IUPAC name of 2-[2-[2-[2-[2-(disulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]ethanethiol (CID 162484448) is 2-[2-[2-[2-[2-(disulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]ethanethiol.
What is the SMILES notation for 2-[2-[2-[2-[2-(disulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]ethanethiol?
The canonical SMILES for 2-[2-[2-[2-[2-(disulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]ethanethiol is SCCSSCCSCCSSCCSCCSS.
What is the InChIKey of 2-[2-[2-[2-[2-(disulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]ethanethiol?
The InChIKey is SETDMHHTRWCACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S9/c11-1-2-16-17-8-5-14-6-10-19-18-9-4-13-3-7-15-12/h11-12H,1-10H2.
What are the key properties of 2-[2-[2-[2-[2-(disulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]ethanethiol?
2-[2-[2-[2-[2-(disulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]ethanethiol has a molecular weight of 430.89 g/mol, XLogP of 5.72, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(disulfanyl)ethylsulfanyl]ethyldisulfanyl]ethylsulfanyl]ethyldisulfanyl]ethanethiol is sourced from PubChem (CID 162484448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).