2-cyclohexyl-1,3-dithiolane

C9H16S2 — CID 10943244

IUPAC2-cyclohexyl-1,3-dithiolane
SMILESC1CCC(C2SCCS2)CC1
InChIInChI=1S/C9H16S2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h8-9H,1-7H2
InChIKeyJQFWHQRUENAMNF-UHFFFAOYSA-N
MW188.36 g/mol
LogP3.37
Rot. Bonds1

About 2-cyclohexyl-1,3-dithiolane

2-cyclohexyl-1,3-dithiolane (PubChem CID 10943244) has the molecular formula C9H16S2 and a molecular weight of 188.36 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-dithiolane.

Molecular Properties

Compound Name2-cyclohexyl-1,3-dithiolane
PubChem CID10943244
Molecular FormulaC9H16S2
Molecular Weight188.36 g/mol
Exact Mass188.07
IUPAC Name2-cyclohexyl-1,3-dithiolane
SMILESC1CCC(C2SCCS2)CC1
InChIInChI=1S/C9H16S2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h8-9H,1-7H2
InChIKeyJQFWHQRUENAMNF-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-dithiolane?
The IUPAC name of 2-cyclohexyl-1,3-dithiolane (CID 10943244) is 2-cyclohexyl-1,3-dithiolane.
What is the SMILES notation for 2-cyclohexyl-1,3-dithiolane?
The canonical SMILES for 2-cyclohexyl-1,3-dithiolane is C1CCC(C2SCCS2)CC1.
What is the InChIKey of 2-cyclohexyl-1,3-dithiolane?
The InChIKey is JQFWHQRUENAMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h8-9H,1-7H2.
What are the key properties of 2-cyclohexyl-1,3-dithiolane?
2-cyclohexyl-1,3-dithiolane has a molecular weight of 188.36 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-dithiolane is sourced from PubChem (CID 10943244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).