tricyclo[5.2.1.02,6]decane-4,8-dithiol

C10H16S2 — CID 59745396

IUPACtricyclo[5.2.1.02,6]decane-4,8-dithiol
SMILESSC1CC2C3CC(S)C(C3)C2C1
InChIInChI=1S/C10H16S2/c11-6-3-7-5-1-9(8(7)4-6)10(12)2-5/h5-12H,1-4H2
InChIKeyNUBNEAWVWCUMQZ-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.65
Rot. Bonds

About tricyclo[5.2.1.02,6]decane-4,8-dithiol

tricyclo[5.2.1.02,6]decane-4,8-dithiol (PubChem CID 59745396) has the molecular formula C10H16S2 and a molecular weight of 200.37 g/mol. Its IUPAC name is tricyclo[5.2.1.02,6]decane-4,8-dithiol.

Molecular Properties

Compound Nametricyclo[5.2.1.02,6]decane-4,8-dithiol
PubChem CID59745396
Molecular FormulaC10H16S2
Molecular Weight200.37 g/mol
Exact Mass200.07
IUPAC Nametricyclo[5.2.1.02,6]decane-4,8-dithiol
SMILESSC1CC2C3CC(S)C(C3)C2C1
InChIInChI=1S/C10H16S2/c11-6-3-7-5-1-9(8(7)4-6)10(12)2-5/h5-12H,1-4H2
InChIKeyNUBNEAWVWCUMQZ-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tricyclo[5.2.1.02,6]decane-4,8-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 tricyclo[5.2.1.02,6]decane-4,8-dithiol?
The IUPAC name of tricyclo[5.2.1.02,6]decane-4,8-dithiol (CID 59745396) is tricyclo[5.2.1.02,6]decane-4,8-dithiol.
What is the SMILES notation for tricyclo[5.2.1.02,6]decane-4,8-dithiol?
The canonical SMILES for tricyclo[5.2.1.02,6]decane-4,8-dithiol is SC1CC2C3CC(S)C(C3)C2C1.
What is the InChIKey of tricyclo[5.2.1.02,6]decane-4,8-dithiol?
The InChIKey is NUBNEAWVWCUMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S2/c11-6-3-7-5-1-9(8(7)4-6)10(12)2-5/h5-12H,1-4H2.
What are the key properties of tricyclo[5.2.1.02,6]decane-4,8-dithiol?
tricyclo[5.2.1.02,6]decane-4,8-dithiol has a molecular weight of 200.37 g/mol, XLogP of 2.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.2.1.02,6]decane-4,8-dithiol is sourced from PubChem (CID 59745396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).