2,5-dithiabicyclo[2.1.0]pentane

C3H4S2 — CID 87692120

IUPAC2,5-dithiabicyclo[2.1.0]pentane
SMILESC1SC2SC12
InChIInChI=1S/C3H4S2/c1-2-3(4-1)5-2/h2-3H,1H2
InChIKeyBRIOHPRWULODBV-UHFFFAOYSA-N
MW104.20 g/mol
LogP1.17
Rot. Bonds

About 2,5-dithiabicyclo[2.1.0]pentane

2,5-dithiabicyclo[2.1.0]pentane (PubChem CID 87692120) has the molecular formula C3H4S2 and a molecular weight of 104.20 g/mol. Its IUPAC name is 2,5-dithiabicyclo[2.1.0]pentane.

Molecular Properties

Compound Name2,5-dithiabicyclo[2.1.0]pentane
PubChem CID87692120
Molecular FormulaC3H4S2
Molecular Weight104.20 g/mol
Exact Mass103.98
IUPAC Name2,5-dithiabicyclo[2.1.0]pentane
SMILESC1SC2SC12
InChIInChI=1S/C3H4S2/c1-2-3(4-1)5-2/h2-3H,1H2
InChIKeyBRIOHPRWULODBV-UHFFFAOYSA-N
XLogP1.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.20
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dithiabicyclo[2.1.0]pentane?
The IUPAC name of 2,5-dithiabicyclo[2.1.0]pentane (CID 87692120) is 2,5-dithiabicyclo[2.1.0]pentane.
What is the SMILES notation for 2,5-dithiabicyclo[2.1.0]pentane?
The canonical SMILES for 2,5-dithiabicyclo[2.1.0]pentane is C1SC2SC12.
What is the InChIKey of 2,5-dithiabicyclo[2.1.0]pentane?
The InChIKey is BRIOHPRWULODBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4S2/c1-2-3(4-1)5-2/h2-3H,1H2.
What are the key properties of 2,5-dithiabicyclo[2.1.0]pentane?
2,5-dithiabicyclo[2.1.0]pentane has a molecular weight of 104.20 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dithiabicyclo[2.1.0]pentane is sourced from PubChem (CID 87692120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).