2-ethenylcyclohexane-1,1-dithiol

C8H14S2 — CID 87122565

IUPAC2-ethenylcyclohexane-1,1-dithiol
SMILESC=CC1CCCCC1(S)S
InChIInChI=1S/C8H14S2/c1-2-7-5-3-4-6-8(7,9)10/h2,7,9-10H,1,3-6H2
InChIKeyKWBWZSXUTUNZQW-UHFFFAOYSA-N
MW174.33 g/mol
LogP2.92
Rot. Bonds1

About 2-ethenylcyclohexane-1,1-dithiol

2-ethenylcyclohexane-1,1-dithiol (PubChem CID 87122565) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is 2-ethenylcyclohexane-1,1-dithiol.

Molecular Properties

Compound Name2-ethenylcyclohexane-1,1-dithiol
PubChem CID87122565
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Name2-ethenylcyclohexane-1,1-dithiol
SMILESC=CC1CCCCC1(S)S
InChIInChI=1S/C8H14S2/c1-2-7-5-3-4-6-8(7,9)10/h2,7,9-10H,1,3-6H2
InChIKeyKWBWZSXUTUNZQW-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 2-ethenylcyclohexane-1,1-dithiol?
The IUPAC name of 2-ethenylcyclohexane-1,1-dithiol (CID 87122565) is 2-ethenylcyclohexane-1,1-dithiol.
What is the SMILES notation for 2-ethenylcyclohexane-1,1-dithiol?
The canonical SMILES for 2-ethenylcyclohexane-1,1-dithiol is C=CC1CCCCC1(S)S.
What is the InChIKey of 2-ethenylcyclohexane-1,1-dithiol?
The InChIKey is KWBWZSXUTUNZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S2/c1-2-7-5-3-4-6-8(7,9)10/h2,7,9-10H,1,3-6H2.
What are the key properties of 2-ethenylcyclohexane-1,1-dithiol?
2-ethenylcyclohexane-1,1-dithiol has a molecular weight of 174.33 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylcyclohexane-1,1-dithiol is sourced from PubChem (CID 87122565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).