1-cyclohexylbutane-1,4-dithiol

C10H20S2 — CID 19607236

IUPAC1-cyclohexylbutane-1,4-dithiol
SMILESSCCCC(S)C1CCCCC1
InChIInChI=1S/C10H20S2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h9-12H,1-8H2
InChIKeyLWZQRCKWSRDMOO-UHFFFAOYSA-N
MW204.40 g/mol
LogP3.58
Rot. Bonds4

About 1-cyclohexylbutane-1,4-dithiol

1-cyclohexylbutane-1,4-dithiol (PubChem CID 19607236) has the molecular formula C10H20S2 and a molecular weight of 204.40 g/mol. Its IUPAC name is 1-cyclohexylbutane-1,4-dithiol.

Molecular Properties

Compound Name1-cyclohexylbutane-1,4-dithiol
PubChem CID19607236
Molecular FormulaC10H20S2
Molecular Weight204.40 g/mol
Exact Mass204.10
IUPAC Name1-cyclohexylbutane-1,4-dithiol
SMILESSCCCC(S)C1CCCCC1
InChIInChI=1S/C10H20S2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h9-12H,1-8H2
InChIKeyLWZQRCKWSRDMOO-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexylbutane-1,4-dithiol 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-cyclohexylbutane-1,4-dithiol?
The IUPAC name of 1-cyclohexylbutane-1,4-dithiol (CID 19607236) is 1-cyclohexylbutane-1,4-dithiol.
What is the SMILES notation for 1-cyclohexylbutane-1,4-dithiol?
The canonical SMILES for 1-cyclohexylbutane-1,4-dithiol is SCCCC(S)C1CCCCC1.
What is the InChIKey of 1-cyclohexylbutane-1,4-dithiol?
The InChIKey is LWZQRCKWSRDMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h9-12H,1-8H2.
What are the key properties of 1-cyclohexylbutane-1,4-dithiol?
1-cyclohexylbutane-1,4-dithiol has a molecular weight of 204.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylbutane-1,4-dithiol is sourced from PubChem (CID 19607236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).