2-cyclohexylidene-1,3-benzodithiole

C13H14S2 — CID 10243140

IUPAC2-cyclohexylidene-1,3-benzodithiole
SMILESc1ccc2c(c1)SC(=C1CCCCC1)S2
InChIInChI=1S/C13H14S2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h4-5,8-9H,1-3,6-7H2
InChIKeyCPJIYMFUGSWLHE-UHFFFAOYSA-N
MW234.39 g/mol
LogP5.06
Rot. Bonds

About 2-cyclohexylidene-1,3-benzodithiole

2-cyclohexylidene-1,3-benzodithiole (PubChem CID 10243140) has the molecular formula C13H14S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-cyclohexylidene-1,3-benzodithiole.

Molecular Properties

Compound Name2-cyclohexylidene-1,3-benzodithiole
PubChem CID10243140
Molecular FormulaC13H14S2
Molecular Weight234.39 g/mol
Exact Mass234.05
IUPAC Name2-cyclohexylidene-1,3-benzodithiole
SMILESc1ccc2c(c1)SC(=C1CCCCC1)S2
InChIInChI=1S/C13H14S2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h4-5,8-9H,1-3,6-7H2
InChIKeyCPJIYMFUGSWLHE-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-1,3-benzodithiole?
The IUPAC name of 2-cyclohexylidene-1,3-benzodithiole (CID 10243140) is 2-cyclohexylidene-1,3-benzodithiole.
What is the SMILES notation for 2-cyclohexylidene-1,3-benzodithiole?
The canonical SMILES for 2-cyclohexylidene-1,3-benzodithiole is c1ccc2c(c1)SC(=C1CCCCC1)S2.
What is the InChIKey of 2-cyclohexylidene-1,3-benzodithiole?
The InChIKey is CPJIYMFUGSWLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14S2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 2-cyclohexylidene-1,3-benzodithiole?
2-cyclohexylidene-1,3-benzodithiole has a molecular weight of 234.39 g/mol, XLogP of 5.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-1,3-benzodithiole is sourced from PubChem (CID 10243140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).