2-[2-(thiiran-2-yl)ethyl]thiirane

C6H10S2 — CID 87691933

IUPAC2-[2-(thiiran-2-yl)ethyl]thiirane
SMILESC(CC1CS1)C1CS1
InChIInChI=1S/C6H10S2/c1(5-3-7-5)2-6-4-8-6/h5-6H,1-4H2
InChIKeyAKDTXWJGIRYPTL-UHFFFAOYSA-N
MW146.28 g/mol
LogP2.00
Rot. Bonds3

About 2-[2-(thiiran-2-yl)ethyl]thiirane

2-[2-(thiiran-2-yl)ethyl]thiirane (PubChem CID 87691933) has the molecular formula C6H10S2 and a molecular weight of 146.28 g/mol. Its IUPAC name is 2-[2-(thiiran-2-yl)ethyl]thiirane.

Molecular Properties

Compound Name2-[2-(thiiran-2-yl)ethyl]thiirane
PubChem CID87691933
Molecular FormulaC6H10S2
Molecular Weight146.28 g/mol
Exact Mass146.02
IUPAC Name2-[2-(thiiran-2-yl)ethyl]thiirane
SMILESC(CC1CS1)C1CS1
InChIInChI=1S/C6H10S2/c1(5-3-7-5)2-6-4-8-6/h5-6H,1-4H2
InChIKeyAKDTXWJGIRYPTL-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(thiiran-2-yl)ethyl]thiirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiiran-2-yl)ethyl]thiirane?
The IUPAC name of 2-[2-(thiiran-2-yl)ethyl]thiirane (CID 87691933) is 2-[2-(thiiran-2-yl)ethyl]thiirane.
What is the SMILES notation for 2-[2-(thiiran-2-yl)ethyl]thiirane?
The canonical SMILES for 2-[2-(thiiran-2-yl)ethyl]thiirane is C(CC1CS1)C1CS1.
What is the InChIKey of 2-[2-(thiiran-2-yl)ethyl]thiirane?
The InChIKey is AKDTXWJGIRYPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S2/c1(5-3-7-5)2-6-4-8-6/h5-6H,1-4H2.
What are the key properties of 2-[2-(thiiran-2-yl)ethyl]thiirane?
2-[2-(thiiran-2-yl)ethyl]thiirane has a molecular weight of 146.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiiran-2-yl)ethyl]thiirane is sourced from PubChem (CID 87691933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).