3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene

C8H10S2 — CID 135297883

IUPAC3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene
SMILESC1=CC2CC1C1SCSC21
InChIInChI=1S/C8H10S2/c1-2-6-3-5(1)7-8(6)10-4-9-7/h1-2,5-8H,3-4H2
InChIKeyFASQYFINISNCBU-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.37
Rot. Bonds

About 3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene

3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 135297883) has the molecular formula C8H10S2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID135297883
Molecular FormulaC8H10S2
Molecular Weight170.30 g/mol
Exact Mass170.02
IUPAC Name3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene
SMILESC1=CC2CC1C1SCSC21
InChIInChI=1S/C8H10S2/c1-2-6-3-5(1)7-8(6)10-4-9-7/h1-2,5-8H,3-4H2
InChIKeyFASQYFINISNCBU-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene (CID 135297883) is 3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene is C1=CC2CC1C1SCSC21.
What is the InChIKey of 3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is FASQYFINISNCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S2/c1-2-6-3-5(1)7-8(6)10-4-9-7/h1-2,5-8H,3-4H2.
What are the key properties of 3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene?
3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 170.30 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dithiatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 135297883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).