2-cyclohex-3-en-1-yl-1,3-dithiane

C10H16S2 — CID 13087920

IUPAC2-cyclohex-3-en-1-yl-1,3-dithiane
SMILESC1=CCC(C2SCCCS2)CC1
InChIInChI=1S/C10H16S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-2,9-10H,3-8H2
InChIKeyZUKKZTVUSDLLSI-UHFFFAOYSA-N
MW200.37 g/mol
LogP3.54
Rot. Bonds1

About 2-cyclohex-3-en-1-yl-1,3-dithiane

2-cyclohex-3-en-1-yl-1,3-dithiane (PubChem CID 13087920) has the molecular formula C10H16S2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-1,3-dithiane.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-1,3-dithiane
PubChem CID13087920
Molecular FormulaC10H16S2
Molecular Weight200.37 g/mol
Exact Mass200.07
IUPAC Name2-cyclohex-3-en-1-yl-1,3-dithiane
SMILESC1=CCC(C2SCCCS2)CC1
InChIInChI=1S/C10H16S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-2,9-10H,3-8H2
InChIKeyZUKKZTVUSDLLSI-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 123364080
Tetrahydrothiochromene
CID 20043767
Isobutyldithiopyrylmethan
CID 129890356
6-Methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
CID 12669525
2-(4-Prop-1-en-2-ylcyclohexen-1-yl)-1,3-dithiane
CID 85928606
2-Thiabicyclo[2.2.2]octene
CID 129721416
2-Methyl-5-isopropenyl-1,3-bis-(allylthio)cyclohex-1-ene
CID 129820351
Dithiopyrylpropylmethan
CID 129890424
2-[2-[(1R,2Z,6Z)-cycloocta-2,6-dien-1-yl]ethyl]-1,3-dithiolane
CID 134831164
(2R,3R)-2-[(E)-pent-1-enyl]-3-prop-1-en-2-ylthiane
CID 134945717
(2R,3R,6R)-3-ethenyl-2-[(E)-pent-1-enyl]-6-propan-2-ylthiane
CID 134945755
(1S,9S)-3,6-dithiatricyclo[7.2.2.02,7]trideca-2(7),10-diene
CID 135033930

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-1,3-dithiane?
The IUPAC name of 2-cyclohex-3-en-1-yl-1,3-dithiane (CID 13087920) is 2-cyclohex-3-en-1-yl-1,3-dithiane.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-1,3-dithiane?
The canonical SMILES for 2-cyclohex-3-en-1-yl-1,3-dithiane is C1=CCC(C2SCCCS2)CC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-1,3-dithiane?
The InChIKey is ZUKKZTVUSDLLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-2,9-10H,3-8H2.
What are the key properties of 2-cyclohex-3-en-1-yl-1,3-dithiane?
2-cyclohex-3-en-1-yl-1,3-dithiane has a molecular weight of 200.37 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-1,3-dithiane is sourced from PubChem (CID 13087920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).