4-cyclohexyl-1,3-dithiole

C9H14S2 — CID 57069148

IUPAC4-cyclohexyl-1,3-dithiole
SMILESC1=C(C2CCCCC2)SCS1
InChIInChI=1S/C9H14S2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h6,8H,1-5,7H2
InChIKeyMUTXKCMEALWRTI-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.85
Rot. Bonds1

About 4-cyclohexyl-1,3-dithiole

4-cyclohexyl-1,3-dithiole (PubChem CID 57069148) has the molecular formula C9H14S2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 4-cyclohexyl-1,3-dithiole.

Molecular Properties

Compound Name4-cyclohexyl-1,3-dithiole
PubChem CID57069148
Molecular FormulaC9H14S2
Molecular Weight186.34 g/mol
Exact Mass186.05
IUPAC Name4-cyclohexyl-1,3-dithiole
SMILESC1=C(C2CCCCC2)SCS1
InChIInChI=1S/C9H14S2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h6,8H,1-5,7H2
InChIKeyMUTXKCMEALWRTI-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1,3-dithiole?
The IUPAC name of 4-cyclohexyl-1,3-dithiole (CID 57069148) is 4-cyclohexyl-1,3-dithiole.
What is the SMILES notation for 4-cyclohexyl-1,3-dithiole?
The canonical SMILES for 4-cyclohexyl-1,3-dithiole is C1=C(C2CCCCC2)SCS1.
What is the InChIKey of 4-cyclohexyl-1,3-dithiole?
The InChIKey is MUTXKCMEALWRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h6,8H,1-5,7H2.
What are the key properties of 4-cyclohexyl-1,3-dithiole?
4-cyclohexyl-1,3-dithiole has a molecular weight of 186.34 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1,3-dithiole is sourced from PubChem (CID 57069148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).