2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol

C6H14S6 — CID 158891475

IUPAC2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol
SMILESSCCSC(CSCS)SCS
InChIInChI=1S/C6H14S6/c7-1-2-11-6(12-5-9)3-10-4-8/h6-9H,1-5H2
InChIKeyJEHGZVMJDUHLFH-UHFFFAOYSA-N
MW278.58 g/mol
LogP3.22
Rot. Bonds8

About 2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol

2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol (PubChem CID 158891475) has the molecular formula C6H14S6 and a molecular weight of 278.58 g/mol. Its IUPAC name is 2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol.

Molecular Properties

Compound Name2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol
PubChem CID158891475
Molecular FormulaC6H14S6
Molecular Weight278.58 g/mol
Exact Mass277.94
IUPAC Name2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol
SMILESSCCSC(CSCS)SCS
InChIInChI=1S/C6H14S6/c7-1-2-11-6(12-5-9)3-10-4-8/h6-9H,1-5H2
InChIKeyJEHGZVMJDUHLFH-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[2-[3-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]-2-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanylmethyl]propyl]sulfanyl-1-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol
CID 23069322
2-[2,3-bis(2-sulfanylethylsulfanyl)propylsulfanyl]ethane-1,1-diol
CID 141470064
[3,3-bis[2,2-bis(sulfanylmethylsulfanyl)ethyl]-1,5,5-tris(sulfanylmethylsulfanyl)pentyl]sulfanylmethanethiol;[2-[3-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]-2-[2,2-bis(sulfanylmethylsulfanyl)ethylsulfanylmethyl]propyl]sulfanyl-1-(sulfanylmethylsulfanyl)ethyl]sulfanylmethanethiol
CID 159277138
3-(disulfanyl)-2-(2-sulfanylethylsulfanyl)propane-1-thiol
CID 155237339
2-(2-sulfanylethylsulfanyl)-3-[[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]trisulfanyl]propane-1-thiol
CID 175012684
2-(2-sulfanylethylsulfanyl)-3-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylpropane-1-thiol;2-sulfanylpropane-1,3-diol
CID 163915227
2-(2-sulfanylethylsulfanyl)ethanethiol
CID 89313137
1-[3-sulfanyl-2-(2-sulfanylethylsulfanyl)propyl]sulfanylbutane-2-thiol
CID 170374294
2-(sulfanylmethylsulfanyl)ethanethiol;3-(sulfanylmethylsulfanyl)propane-1-thiol
CID 160544641
3-(sulfanylmethylsulfanyl)propane-1,2-dithiol
CID 23503994
1,3-bis(2-sulfanylethylsulfanyl)propane-1,2,3-trithiol
CID 172838322
1,1,6,6-tetrakis(sulfanylmethylsulfanyl)hexane-3,4-dithiol
CID 156700219

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol?
The IUPAC name of 2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol (CID 158891475) is 2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol.
What is the SMILES notation for 2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol?
The canonical SMILES for 2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol is SCCSC(CSCS)SCS.
What is the InChIKey of 2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol?
The InChIKey is JEHGZVMJDUHLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S6/c7-1-2-11-6(12-5-9)3-10-4-8/h6-9H,1-5H2.
What are the key properties of 2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol?
2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol has a molecular weight of 278.58 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol is sourced from PubChem (CID 158891475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).