6-(4-sulfanylbutyl)cyclohex-3-ene-1-thiol

C10H18S2 — CID 118258690

IUPAC6-(4-sulfanylbutyl)cyclohex-3-ene-1-thiol
SMILESSCCCCC1CC=CCC1S
InChIInChI=1S/C10H18S2/c11-8-4-3-6-9-5-1-2-7-10(9)12/h1-2,9-12H,3-8H2
InChIKeyJXFCKELNOZXHIS-UHFFFAOYSA-N
MW202.39 g/mol
LogP3.35
Rot. Bonds4

About 6-(4-sulfanylbutyl)cyclohex-3-ene-1-thiol

6-(4-sulfanylbutyl)cyclohex-3-ene-1-thiol (PubChem CID 118258690) has the molecular formula C10H18S2 and a molecular weight of 202.39 g/mol. Its IUPAC name is 6-(4-sulfanylbutyl)cyclohex-3-ene-1-thiol.

Molecular Properties

Compound Name6-(4-sulfanylbutyl)cyclohex-3-ene-1-thiol
PubChem CID118258690
Molecular FormulaC10H18S2
Molecular Weight202.39 g/mol
Exact Mass202.08
IUPAC Name6-(4-sulfanylbutyl)cyclohex-3-ene-1-thiol
SMILESSCCCCC1CC=CCC1S
InChIInChI=1S/C10H18S2/c11-8-4-3-6-9-5-1-2-7-10(9)12/h1-2,9-12H,3-8H2
InChIKeyJXFCKELNOZXHIS-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(4-sulfanylbutyl)cyclohex-3-ene-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 6-(4-sulfanylbutyl)cyclohex-3-ene-1-thiol?
The IUPAC name of 6-(4-sulfanylbutyl)cyclohex-3-ene-1-thiol (CID 118258690) is 6-(4-sulfanylbutyl)cyclohex-3-ene-1-thiol.
What is the SMILES notation for 6-(4-sulfanylbutyl)cyclohex-3-ene-1-thiol?
The canonical SMILES for 6-(4-sulfanylbutyl)cyclohex-3-ene-1-thiol is SCCCCC1CC=CCC1S.
What is the InChIKey of 6-(4-sulfanylbutyl)cyclohex-3-ene-1-thiol?
The InChIKey is JXFCKELNOZXHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S2/c11-8-4-3-6-9-5-1-2-7-10(9)12/h1-2,9-12H,3-8H2.
What are the key properties of 6-(4-sulfanylbutyl)cyclohex-3-ene-1-thiol?
6-(4-sulfanylbutyl)cyclohex-3-ene-1-thiol has a molecular weight of 202.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-sulfanylbutyl)cyclohex-3-ene-1-thiol is sourced from PubChem (CID 118258690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).