2-[3,4-bis(2-sulfanylethyl)cyclohexyl]ethanethiol

C12H24S3 — CID 20502921

IUPAC2-[3,4-bis(2-sulfanylethyl)cyclohexyl]ethanethiol
SMILESSCCC1CCC(CCS)C(CCS)C1
InChIInChI=1S/C12H24S3/c13-6-3-10-1-2-11(4-7-14)12(9-10)5-8-15/h10-15H,1-9H2
InChIKeyOBEAYGIWBMQVKN-UHFFFAOYSA-N
MW264.52 g/mol
LogP3.98
Rot. Bonds6

About 2-[3,4-bis(2-sulfanylethyl)cyclohexyl]ethanethiol

2-[3,4-bis(2-sulfanylethyl)cyclohexyl]ethanethiol (PubChem CID 20502921) has the molecular formula C12H24S3 and a molecular weight of 264.52 g/mol. Its IUPAC name is 2-[3,4-bis(2-sulfanylethyl)cyclohexyl]ethanethiol.

Molecular Properties

Compound Name2-[3,4-bis(2-sulfanylethyl)cyclohexyl]ethanethiol
PubChem CID20502921
Molecular FormulaC12H24S3
Molecular Weight264.52 g/mol
Exact Mass264.10
IUPAC Name2-[3,4-bis(2-sulfanylethyl)cyclohexyl]ethanethiol
SMILESSCCC1CCC(CCS)C(CCS)C1
InChIInChI=1S/C12H24S3/c13-6-3-10-1-2-11(4-7-14)12(9-10)5-8-15/h10-15H,1-9H2
InChIKeyOBEAYGIWBMQVKN-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.52
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Mercapto-beta,4-dimethylcyclohexaneethanethiol
CID 20936
[3-(Sulfanylmethyl)cyclohexyl]methanethiol
CID 21987839
[(2R,3R)-3-(sulfanylmethyl)-2-bicyclo[2.2.2]octanyl]methanethiol
CID 11040515
(4-Heptylcyclohexyl)methanethiol
CID 13742176
[2-(Sulfanylmethyl)cyclohexyl]methanethiol
CID 14226878
2-(4-Methylcyclohexyl)propane-1-thiol
CID 14263719
2-Cyclohexylpropane-1,3-dithiol
CID 17768368
2-[4-(Sulfanylmethyl)cyclohexyl]propane-1-thiol
CID 17995811
(5-Methyl-2-propan-2-ylcyclohexyl)methanethiol
CID 18786811
2-[3,5-Bis(2-sulfanylethyl)cyclohexyl]ethanethiol
CID 20502924
2-Methyl-4-(1-sulfanylpropan-2-yl)cyclohexane-1-thiol
CID 44135832
Cyclohexane-1,2,3,5-tetracarbothialdehyde
CID 56978506

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(2-sulfanylethyl)cyclohexyl]ethanethiol?
The IUPAC name of 2-[3,4-bis(2-sulfanylethyl)cyclohexyl]ethanethiol (CID 20502921) is 2-[3,4-bis(2-sulfanylethyl)cyclohexyl]ethanethiol.
What is the SMILES notation for 2-[3,4-bis(2-sulfanylethyl)cyclohexyl]ethanethiol?
The canonical SMILES for 2-[3,4-bis(2-sulfanylethyl)cyclohexyl]ethanethiol is SCCC1CCC(CCS)C(CCS)C1.
What is the InChIKey of 2-[3,4-bis(2-sulfanylethyl)cyclohexyl]ethanethiol?
The InChIKey is OBEAYGIWBMQVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S3/c13-6-3-10-1-2-11(4-7-14)12(9-10)5-8-15/h10-15H,1-9H2.
What are the key properties of 2-[3,4-bis(2-sulfanylethyl)cyclohexyl]ethanethiol?
2-[3,4-bis(2-sulfanylethyl)cyclohexyl]ethanethiol has a molecular weight of 264.52 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(2-sulfanylethyl)cyclohexyl]ethanethiol is sourced from PubChem (CID 20502921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).