2-cyclohexyl-1,3-dithian-5-one

C10H16OS2 — CID 18363971

IUPAC2-cyclohexyl-1,3-dithian-5-one
SMILESO=C1CSC(C2CCCCC2)SC1
InChIInChI=1S/C10H16OS2/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h8,10H,1-7H2
InChIKeyKCXQKEIGWDFHCU-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.94
Rot. Bonds1

About 2-cyclohexyl-1,3-dithian-5-one

2-cyclohexyl-1,3-dithian-5-one (PubChem CID 18363971) has the molecular formula C10H16OS2 and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-dithian-5-one.

Molecular Properties

Compound Name2-cyclohexyl-1,3-dithian-5-one
PubChem CID18363971
Molecular FormulaC10H16OS2
Molecular Weight216.37 g/mol
Exact Mass216.06
IUPAC Name2-cyclohexyl-1,3-dithian-5-one
SMILESO=C1CSC(C2CCCCC2)SC1
InChIInChI=1S/C10H16OS2/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h8,10H,1-7H2
InChIKeyKCXQKEIGWDFHCU-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-dithian-5-one?
The IUPAC name of 2-cyclohexyl-1,3-dithian-5-one (CID 18363971) is 2-cyclohexyl-1,3-dithian-5-one.
What is the SMILES notation for 2-cyclohexyl-1,3-dithian-5-one?
The canonical SMILES for 2-cyclohexyl-1,3-dithian-5-one is O=C1CSC(C2CCCCC2)SC1.
What is the InChIKey of 2-cyclohexyl-1,3-dithian-5-one?
The InChIKey is KCXQKEIGWDFHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS2/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h8,10H,1-7H2.
What are the key properties of 2-cyclohexyl-1,3-dithian-5-one?
2-cyclohexyl-1,3-dithian-5-one has a molecular weight of 216.37 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-dithian-5-one is sourced from PubChem (CID 18363971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).