4-ethynyl-2-sulfanylidenetrithiane

C5H6S4 — CID 88889735

IUPAC4-ethynyl-2-sulfanylidenetrithiane
SMILESC#CC1CCSS(=S)S1
InChIInChI=1S/C5H6S4/c1-2-5-3-4-7-9(6)8-5/h1,5H,3-4H2
InChIKeyFPHILYSHEBFIST-UHFFFAOYSA-N
MW194.37 g/mol
LogP1.77
Rot. Bonds

About 4-ethynyl-2-sulfanylidenetrithiane

4-ethynyl-2-sulfanylidenetrithiane (PubChem CID 88889735) has the molecular formula C5H6S4 and a molecular weight of 194.37 g/mol. Its IUPAC name is 4-ethynyl-2-sulfanylidenetrithiane.

Molecular Properties

Compound Name4-ethynyl-2-sulfanylidenetrithiane
PubChem CID88889735
Molecular FormulaC5H6S4
Molecular Weight194.37 g/mol
Exact Mass193.94
IUPAC Name4-ethynyl-2-sulfanylidenetrithiane
SMILESC#CC1CCSS(=S)S1
InChIInChI=1S/C5H6S4/c1-2-5-3-4-7-9(6)8-5/h1,5H,3-4H2
InChIKeyFPHILYSHEBFIST-UHFFFAOYSA-N
XLogP1.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-2-sulfanylidenetrithiane?
The IUPAC name of 4-ethynyl-2-sulfanylidenetrithiane (CID 88889735) is 4-ethynyl-2-sulfanylidenetrithiane.
What is the SMILES notation for 4-ethynyl-2-sulfanylidenetrithiane?
The canonical SMILES for 4-ethynyl-2-sulfanylidenetrithiane is C#CC1CCSS(=S)S1.
What is the InChIKey of 4-ethynyl-2-sulfanylidenetrithiane?
The InChIKey is FPHILYSHEBFIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S4/c1-2-5-3-4-7-9(6)8-5/h1,5H,3-4H2.
What are the key properties of 4-ethynyl-2-sulfanylidenetrithiane?
4-ethynyl-2-sulfanylidenetrithiane has a molecular weight of 194.37 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-2-sulfanylidenetrithiane is sourced from PubChem (CID 88889735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).