2-cyclohexyl-2-methyl-1,3-dithiane

C11H20S2 — CID 73427298

IUPAC2-cyclohexyl-2-methyl-1,3-dithiane
SMILESCC1(C2CCCCC2)SCCCS1
InChIInChI=1S/C11H20S2/c1-11(12-8-5-9-13-11)10-6-3-2-4-7-10/h10H,2-9H2,1H3
InChIKeyRIZSGYIRFNODDH-UHFFFAOYSA-N
MW216.41 g/mol
LogP4.15
Rot. Bonds1

About 2-cyclohexyl-2-methyl-1,3-dithiane

2-cyclohexyl-2-methyl-1,3-dithiane (PubChem CID 73427298) has the molecular formula C11H20S2 and a molecular weight of 216.41 g/mol. Its IUPAC name is 2-cyclohexyl-2-methyl-1,3-dithiane.

Molecular Properties

Compound Name2-cyclohexyl-2-methyl-1,3-dithiane
PubChem CID73427298
Molecular FormulaC11H20S2
Molecular Weight216.41 g/mol
Exact Mass216.10
IUPAC Name2-cyclohexyl-2-methyl-1,3-dithiane
SMILESCC1(C2CCCCC2)SCCCS1
InChIInChI=1S/C11H20S2/c1-11(12-8-5-9-13-11)10-6-3-2-4-7-10/h10H,2-9H2,1H3
InChIKeyRIZSGYIRFNODDH-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexyl-2-methyl-1,3-dithiane 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 2-cyclohexyl-2-methyl-1,3-dithiane?
The IUPAC name of 2-cyclohexyl-2-methyl-1,3-dithiane (CID 73427298) is 2-cyclohexyl-2-methyl-1,3-dithiane.
What is the SMILES notation for 2-cyclohexyl-2-methyl-1,3-dithiane?
The canonical SMILES for 2-cyclohexyl-2-methyl-1,3-dithiane is CC1(C2CCCCC2)SCCCS1.
What is the InChIKey of 2-cyclohexyl-2-methyl-1,3-dithiane?
The InChIKey is RIZSGYIRFNODDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S2/c1-11(12-8-5-9-13-11)10-6-3-2-4-7-10/h10H,2-9H2,1H3.
What are the key properties of 2-cyclohexyl-2-methyl-1,3-dithiane?
2-cyclohexyl-2-methyl-1,3-dithiane has a molecular weight of 216.41 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methyl-1,3-dithiane is sourced from PubChem (CID 73427298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).