2-[2-(thiiran-2-ylmethylsulfanyl)ethylsulfanylmethyl]thiirane

C8H14S4 — CID 11218644

IUPAC2-[2-(thiiran-2-ylmethylsulfanyl)ethylsulfanylmethyl]thiirane
SMILESC(CSCC1CS1)SCC1CS1
InChIInChI=1S/C8H14S4/c1(9-3-7-5-11-7)2-10-4-8-6-12-8/h7-8H,1-6H2
InChIKeySLQDZZGEPQYECP-UHFFFAOYSA-N
MW238.47 g/mol
LogP2.68
Rot. Bonds7

About 2-[2-(thiiran-2-ylmethylsulfanyl)ethylsulfanylmethyl]thiirane

2-[2-(thiiran-2-ylmethylsulfanyl)ethylsulfanylmethyl]thiirane (PubChem CID 11218644) has the molecular formula C8H14S4 and a molecular weight of 238.47 g/mol. Its IUPAC name is 2-[2-(thiiran-2-ylmethylsulfanyl)ethylsulfanylmethyl]thiirane.

Molecular Properties

Compound Name2-[2-(thiiran-2-ylmethylsulfanyl)ethylsulfanylmethyl]thiirane
PubChem CID11218644
Molecular FormulaC8H14S4
Molecular Weight238.47 g/mol
Exact Mass238.00
IUPAC Name2-[2-(thiiran-2-ylmethylsulfanyl)ethylsulfanylmethyl]thiirane
SMILESC(CSCC1CS1)SCC1CS1
InChIInChI=1S/C8H14S4/c1(9-3-7-5-11-7)2-10-4-8-6-12-8/h7-8H,1-6H2
InChIKeySLQDZZGEPQYECP-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(thiiran-2-ylmethylsulfanyl)ethylsulfanylmethyl]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-ylmethylsulfanyl)ethylsulfanylmethyl]thiirane?
The IUPAC name of 2-[2-(thiiran-2-ylmethylsulfanyl)ethylsulfanylmethyl]thiirane (CID 11218644) is 2-[2-(thiiran-2-ylmethylsulfanyl)ethylsulfanylmethyl]thiirane.
What is the SMILES notation for 2-[2-(thiiran-2-ylmethylsulfanyl)ethylsulfanylmethyl]thiirane?
The canonical SMILES for 2-[2-(thiiran-2-ylmethylsulfanyl)ethylsulfanylmethyl]thiirane is C(CSCC1CS1)SCC1CS1.
What is the InChIKey of 2-[2-(thiiran-2-ylmethylsulfanyl)ethylsulfanylmethyl]thiirane?
The InChIKey is SLQDZZGEPQYECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S4/c1(9-3-7-5-11-7)2-10-4-8-6-12-8/h7-8H,1-6H2.
What are the key properties of 2-[2-(thiiran-2-ylmethylsulfanyl)ethylsulfanylmethyl]thiirane?
2-[2-(thiiran-2-ylmethylsulfanyl)ethylsulfanylmethyl]thiirane has a molecular weight of 238.47 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiiran-2-ylmethylsulfanyl)ethylsulfanylmethyl]thiirane is sourced from PubChem (CID 11218644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).