1-cyclohexylethene-1,2-dithiol

C8H14S2 — CID 72542979

IUPAC1-cyclohexylethene-1,2-dithiol
SMILESSC=C(S)C1CCCCC1
InChIInChI=1S/C8H14S2/c9-6-8(10)7-4-2-1-3-5-7/h6-7,9-10H,1-5H2
InChIKeyYYELSINHQSSTSD-UHFFFAOYSA-N
MW174.33 g/mol
LogP3.27
Rot. Bonds1

About 1-cyclohexylethene-1,2-dithiol

1-cyclohexylethene-1,2-dithiol (PubChem CID 72542979) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is 1-cyclohexylethene-1,2-dithiol.

Molecular Properties

Compound Name1-cyclohexylethene-1,2-dithiol
PubChem CID72542979
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Name1-cyclohexylethene-1,2-dithiol
SMILESSC=C(S)C1CCCCC1
InChIInChI=1S/C8H14S2/c9-6-8(10)7-4-2-1-3-5-7/h6-7,9-10H,1-5H2
InChIKeyYYELSINHQSSTSD-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethene-1,2-dithiol?
The IUPAC name of 1-cyclohexylethene-1,2-dithiol (CID 72542979) is 1-cyclohexylethene-1,2-dithiol.
What is the SMILES notation for 1-cyclohexylethene-1,2-dithiol?
The canonical SMILES for 1-cyclohexylethene-1,2-dithiol is SC=C(S)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethene-1,2-dithiol?
The InChIKey is YYELSINHQSSTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S2/c9-6-8(10)7-4-2-1-3-5-7/h6-7,9-10H,1-5H2.
What are the key properties of 1-cyclohexylethene-1,2-dithiol?
1-cyclohexylethene-1,2-dithiol has a molecular weight of 174.33 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethene-1,2-dithiol is sourced from PubChem (CID 72542979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).