4-methylsulfanyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene

C7H8S3 — CID 175159377

IUPAC4-methylsulfanyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
SMILESCSC12C=CC3SC3C1S2
InChIInChI=1S/C7H8S3/c1-8-7-3-2-4-5(9-4)6(7)10-7/h2-6H,1H3
InChIKeyGBCVMFIHUHZLCT-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.21
Rot. Bonds1

About 4-methylsulfanyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene

4-methylsulfanyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene (PubChem CID 175159377) has the molecular formula C7H8S3 and a molecular weight of 188.34 g/mol. Its IUPAC name is 4-methylsulfanyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene.

Molecular Properties

Compound Name4-methylsulfanyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
PubChem CID175159377
Molecular FormulaC7H8S3
Molecular Weight188.34 g/mol
Exact Mass187.98
IUPAC Name4-methylsulfanyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
SMILESCSC12C=CC3SC3C1S2
InChIInChI=1S/C7H8S3/c1-8-7-3-2-4-5(9-4)6(7)10-7/h2-6H,1H3
InChIKeyGBCVMFIHUHZLCT-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

p-Fluorobenzenedisulfide
CID 154100241
7-Thiabicyclo[4.1.0]hept-3-ene
CID 12581883
Benzene disulfide
CID 86611018
1-Fluoro-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 87538700
3,8-Dithiatricyclo[5.1.0.02,4]oct-5-ene;hexane
CID 88746966
3-Sulfanylidene-3lambda4,8-dithiatricyclo[5.1.0.02,4]oct-5-ene-4-thiol
CID 88755306
4-Methyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 141013799
1,7-Dimethyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 141046805
3,8-Dithiatricyclo[5.1.0.02,4]oct-5-ene-1-thiol
CID 141280562
1,4-Dimethyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 141373006
4-Methyl-3-sulfanylidene-3lambda4,8-dithiatricyclo[5.1.0.02,4]oct-5-ene
CID 149625013
3,8-Dithiatricyclo[5.1.0.02,4]oct-5-ene-4-thiol
CID 149672958

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene?
The IUPAC name of 4-methylsulfanyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene (CID 175159377) is 4-methylsulfanyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene.
What is the SMILES notation for 4-methylsulfanyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene?
The canonical SMILES for 4-methylsulfanyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene is CSC12C=CC3SC3C1S2.
What is the InChIKey of 4-methylsulfanyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene?
The InChIKey is GBCVMFIHUHZLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S3/c1-8-7-3-2-4-5(9-4)6(7)10-7/h2-6H,1H3.
What are the key properties of 4-methylsulfanyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene?
4-methylsulfanyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene has a molecular weight of 188.34 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-3,8-dithiatricyclo[5.1.0.02,4]oct-5-ene is sourced from PubChem (CID 175159377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).