1-cyclohexyl-1,3-dimethylthiolane

C12H24S — CID 123388840

IUPAC1-cyclohexyl-1,3-dimethylthiolane
SMILESCC1CCS(C)(C2CCCCC2)C1
InChIInChI=1S/C12H24S/c1-11-8-9-13(2,10-11)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3
InChIKeyDTULGWNGTZZTTH-UHFFFAOYSA-N
MW200.39 g/mol
LogP3.79
Rot. Bonds1

About 1-cyclohexyl-1,3-dimethylthiolane

1-cyclohexyl-1,3-dimethylthiolane (PubChem CID 123388840) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is 1-cyclohexyl-1,3-dimethylthiolane.

Molecular Properties

Compound Name1-cyclohexyl-1,3-dimethylthiolane
PubChem CID123388840
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name1-cyclohexyl-1,3-dimethylthiolane
SMILESCC1CCS(C)(C2CCCCC2)C1
InChIInChI=1S/C12H24S/c1-11-8-9-13(2,10-11)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3
InChIKeyDTULGWNGTZZTTH-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
CID 91298161
3-methyl-6λ4-thiaspiro[5.6]dodecane
CID 70985048
gallane;methylcyclohexane
CID 174461507
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
methane;methylcyclohexane
CID 143705611
1-ethyl-1,3-dimethylthiane
CID 143395307
cyclooctane;methylcyclobutane
CID 159456217
methylcyclopentane
CID 7296
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
cyclobutane;ethane;methylcyclopropane
CID 143875535
ethane;methane;methylcyclohexane;methylcyclopentane
CID 158993326

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1,3-dimethylthiolane?
The IUPAC name of 1-cyclohexyl-1,3-dimethylthiolane (CID 123388840) is 1-cyclohexyl-1,3-dimethylthiolane.
What is the SMILES notation for 1-cyclohexyl-1,3-dimethylthiolane?
The canonical SMILES for 1-cyclohexyl-1,3-dimethylthiolane is CC1CCS(C)(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-1,3-dimethylthiolane?
The InChIKey is DTULGWNGTZZTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S/c1-11-8-9-13(2,10-11)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-cyclohexyl-1,3-dimethylthiolane?
1-cyclohexyl-1,3-dimethylthiolane has a molecular weight of 200.39 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1,3-dimethylthiolane is sourced from PubChem (CID 123388840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).