1-(2-sulfanylethyl)cyclohexane-1-thiol

C8H16S2 — CID 3015411

IUPAC1-(2-sulfanylethyl)cyclohexane-1-thiol
SMILESSCCC1(S)CCCCC1
InChIInChI=1S/C8H16S2/c9-7-6-8(10)4-2-1-3-5-8/h9-10H,1-7H2
InChIKeyMWKYQORKTYAWTG-UHFFFAOYSA-N
MW176.35 g/mol
LogP2.94
Rot. Bonds2

About 1-(2-sulfanylethyl)cyclohexane-1-thiol

1-(2-sulfanylethyl)cyclohexane-1-thiol (PubChem CID 3015411) has the molecular formula C8H16S2 and a molecular weight of 176.35 g/mol. Its IUPAC name is 1-(2-sulfanylethyl)cyclohexane-1-thiol.

Molecular Properties

Compound Name1-(2-sulfanylethyl)cyclohexane-1-thiol
PubChem CID3015411
Molecular FormulaC8H16S2
Molecular Weight176.35 g/mol
Exact Mass176.07
IUPAC Name1-(2-sulfanylethyl)cyclohexane-1-thiol
SMILESSCCC1(S)CCCCC1
InChIInChI=1S/C8H16S2/c9-7-6-8(10)4-2-1-3-5-8/h9-10H,1-7H2
InChIKeyMWKYQORKTYAWTG-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-sulfanylethyl)cyclohexane-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfanylethyl)cyclohexane-1-thiol?
The IUPAC name of 1-(2-sulfanylethyl)cyclohexane-1-thiol (CID 3015411) is 1-(2-sulfanylethyl)cyclohexane-1-thiol.
What is the SMILES notation for 1-(2-sulfanylethyl)cyclohexane-1-thiol?
The canonical SMILES for 1-(2-sulfanylethyl)cyclohexane-1-thiol is SCCC1(S)CCCCC1.
What is the InChIKey of 1-(2-sulfanylethyl)cyclohexane-1-thiol?
The InChIKey is MWKYQORKTYAWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S2/c9-7-6-8(10)4-2-1-3-5-8/h9-10H,1-7H2.
What are the key properties of 1-(2-sulfanylethyl)cyclohexane-1-thiol?
1-(2-sulfanylethyl)cyclohexane-1-thiol has a molecular weight of 176.35 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfanylethyl)cyclohexane-1-thiol is sourced from PubChem (CID 3015411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).