2,3,4-trithiabicyclo[3.2.0]hept-1(5)-ene

C4H4S3 — CID 87764327

IUPAC2,3,4-trithiabicyclo[3.2.0]hept-1(5)-ene
SMILESC1CC2=C1SSS2
InChIInChI=1S/C4H4S3/c1-2-4-3(1)5-7-6-4/h1-2H2
InChIKeyCNNRIENZXHSUOV-UHFFFAOYSA-N
MW148.28 g/mol
LogP3.04
Rot. Bonds

About 2,3,4-trithiabicyclo[3.2.0]hept-1(5)-ene

2,3,4-trithiabicyclo[3.2.0]hept-1(5)-ene (PubChem CID 87764327) has the molecular formula C4H4S3 and a molecular weight of 148.28 g/mol. Its IUPAC name is 2,3,4-trithiabicyclo[3.2.0]hept-1(5)-ene.

Molecular Properties

Compound Name2,3,4-trithiabicyclo[3.2.0]hept-1(5)-ene
PubChem CID87764327
Molecular FormulaC4H4S3
Molecular Weight148.28 g/mol
Exact Mass147.95
IUPAC Name2,3,4-trithiabicyclo[3.2.0]hept-1(5)-ene
SMILESC1CC2=C1SSS2
InChIInChI=1S/C4H4S3/c1-2-4-3(1)5-7-6-4/h1-2H2
InChIKeyCNNRIENZXHSUOV-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trithiabicyclo[3.2.0]hept-1(5)-ene?
The IUPAC name of 2,3,4-trithiabicyclo[3.2.0]hept-1(5)-ene (CID 87764327) is 2,3,4-trithiabicyclo[3.2.0]hept-1(5)-ene.
What is the SMILES notation for 2,3,4-trithiabicyclo[3.2.0]hept-1(5)-ene?
The canonical SMILES for 2,3,4-trithiabicyclo[3.2.0]hept-1(5)-ene is C1CC2=C1SSS2.
What is the InChIKey of 2,3,4-trithiabicyclo[3.2.0]hept-1(5)-ene?
The InChIKey is CNNRIENZXHSUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S3/c1-2-4-3(1)5-7-6-4/h1-2H2.
What are the key properties of 2,3,4-trithiabicyclo[3.2.0]hept-1(5)-ene?
2,3,4-trithiabicyclo[3.2.0]hept-1(5)-ene has a molecular weight of 148.28 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trithiabicyclo[3.2.0]hept-1(5)-ene is sourced from PubChem (CID 87764327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).