cyclodeca-3,8-diene-1,6-dithiol

C10H16S2 — CID 91096756

IUPACcyclodeca-3,8-diene-1,6-dithiol
SMILESSC1CC=CCC(S)CC=CC1
InChIInChI=1S/C10H16S2/c11-9-5-1-2-6-10(12)8-4-3-7-9/h1-4,9-12H,5-8H2
InChIKeyUFALPLBJNUBADR-UHFFFAOYSA-N
MW200.37 g/mol
LogP3.27
Rot. Bonds

About cyclodeca-3,8-diene-1,6-dithiol

cyclodeca-3,8-diene-1,6-dithiol (PubChem CID 91096756) has the molecular formula C10H16S2 and a molecular weight of 200.37 g/mol. Its IUPAC name is cyclodeca-3,8-diene-1,6-dithiol.

Molecular Properties

Compound Namecyclodeca-3,8-diene-1,6-dithiol
PubChem CID91096756
Molecular FormulaC10H16S2
Molecular Weight200.37 g/mol
Exact Mass200.07
IUPAC Namecyclodeca-3,8-diene-1,6-dithiol
SMILESSC1CC=CCC(S)CC=CC1
InChIInChI=1S/C10H16S2/c11-9-5-1-2-6-10(12)8-4-3-7-9/h1-4,9-12H,5-8H2
InChIKeyUFALPLBJNUBADR-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclodeca-3,8-diene-1,6-dithiol?
The IUPAC name of cyclodeca-3,8-diene-1,6-dithiol (CID 91096756) is cyclodeca-3,8-diene-1,6-dithiol.
What is the SMILES notation for cyclodeca-3,8-diene-1,6-dithiol?
The canonical SMILES for cyclodeca-3,8-diene-1,6-dithiol is SC1CC=CCC(S)CC=CC1.
What is the InChIKey of cyclodeca-3,8-diene-1,6-dithiol?
The InChIKey is UFALPLBJNUBADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S2/c11-9-5-1-2-6-10(12)8-4-3-7-9/h1-4,9-12H,5-8H2.
What are the key properties of cyclodeca-3,8-diene-1,6-dithiol?
cyclodeca-3,8-diene-1,6-dithiol has a molecular weight of 200.37 g/mol, XLogP of 3.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodeca-3,8-diene-1,6-dithiol is sourced from PubChem (CID 91096756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).