3-(1-sulfanylethyl)cyclohexane-1-thiol

C8H16S2 — CID 21296324

IUPAC3-(1-sulfanylethyl)cyclohexane-1-thiol
SMILESCC(S)C1CCCC(S)C1
InChIInChI=1S/C8H16S2/c1-6(9)7-3-2-4-8(10)5-7/h6-10H,2-5H2,1H3
InChIKeyUWMWEVDKFGSXOE-UHFFFAOYSA-N
MW176.35 g/mol
LogP2.79
Rot. Bonds1

About 3-(1-sulfanylethyl)cyclohexane-1-thiol

3-(1-sulfanylethyl)cyclohexane-1-thiol (PubChem CID 21296324) has the molecular formula C8H16S2 and a molecular weight of 176.35 g/mol. Its IUPAC name is 3-(1-sulfanylethyl)cyclohexane-1-thiol.

Molecular Properties

Compound Name3-(1-sulfanylethyl)cyclohexane-1-thiol
PubChem CID21296324
Molecular FormulaC8H16S2
Molecular Weight176.35 g/mol
Exact Mass176.07
IUPAC Name3-(1-sulfanylethyl)cyclohexane-1-thiol
SMILESCC(S)C1CCCC(S)C1
InChIInChI=1S/C8H16S2/c1-6(9)7-3-2-4-8(10)5-7/h6-10H,2-5H2,1H3
InChIKeyUWMWEVDKFGSXOE-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-sulfanylethyl)cyclohexane-1-thiol?
The IUPAC name of 3-(1-sulfanylethyl)cyclohexane-1-thiol (CID 21296324) is 3-(1-sulfanylethyl)cyclohexane-1-thiol.
What is the SMILES notation for 3-(1-sulfanylethyl)cyclohexane-1-thiol?
The canonical SMILES for 3-(1-sulfanylethyl)cyclohexane-1-thiol is CC(S)C1CCCC(S)C1.
What is the InChIKey of 3-(1-sulfanylethyl)cyclohexane-1-thiol?
The InChIKey is UWMWEVDKFGSXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S2/c1-6(9)7-3-2-4-8(10)5-7/h6-10H,2-5H2,1H3.
What are the key properties of 3-(1-sulfanylethyl)cyclohexane-1-thiol?
3-(1-sulfanylethyl)cyclohexane-1-thiol has a molecular weight of 176.35 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-sulfanylethyl)cyclohexane-1-thiol is sourced from PubChem (CID 21296324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).