5-ethynyl-2-sulfanylidenetrithiane

C5H6S4 — CID 89446924

IUPAC5-ethynyl-2-sulfanylidenetrithiane
SMILESC#CC1CSS(=S)SC1
InChIInChI=1S/C5H6S4/c1-2-5-3-7-9(6)8-4-5/h1,5H,3-4H2
InChIKeyHUOIZCINJYGUSU-UHFFFAOYSA-N
MW194.37 g/mol
LogP1.63
Rot. Bonds

About 5-ethynyl-2-sulfanylidenetrithiane

5-ethynyl-2-sulfanylidenetrithiane (PubChem CID 89446924) has the molecular formula C5H6S4 and a molecular weight of 194.37 g/mol. Its IUPAC name is 5-ethynyl-2-sulfanylidenetrithiane.

Molecular Properties

Compound Name5-ethynyl-2-sulfanylidenetrithiane
PubChem CID89446924
Molecular FormulaC5H6S4
Molecular Weight194.37 g/mol
Exact Mass193.94
IUPAC Name5-ethynyl-2-sulfanylidenetrithiane
SMILESC#CC1CSS(=S)SC1
InChIInChI=1S/C5H6S4/c1-2-5-3-7-9(6)8-4-5/h1,5H,3-4H2
InChIKeyHUOIZCINJYGUSU-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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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Related Compounds

4-Ethynyl-1-sulfanylidenedithiane
CID 88889638
5-Ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 88889659
4-Ethynyl-2-sulfanylidenetrithiane
CID 88889735
5-Ethynyl-1,3,2-dithiaphosphinane
CID 88889740
4-Ethynyl-2-sulfanylidenetrithiane 2-oxide
CID 88889817
5-Ethynyltrithiane 2-oxide
CID 88889916
5-Ethynyl-1-sulfanylidenedithiane
CID 89442005
5-Ethynyl-1,1-bis(sulfanylidene)dithiane
CID 89442006
4-Ethynyl-2,2-bis(sulfanylidene)trithiane
CID 89445885
4-Ethynyl-1,1-bis(sulfanylidene)dithiane
CID 89446346
4-Ethynyldithiane
CID 89703488

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-sulfanylidenetrithiane?
The IUPAC name of 5-ethynyl-2-sulfanylidenetrithiane (CID 89446924) is 5-ethynyl-2-sulfanylidenetrithiane.
What is the SMILES notation for 5-ethynyl-2-sulfanylidenetrithiane?
The canonical SMILES for 5-ethynyl-2-sulfanylidenetrithiane is C#CC1CSS(=S)SC1.
What is the InChIKey of 5-ethynyl-2-sulfanylidenetrithiane?
The InChIKey is HUOIZCINJYGUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S4/c1-2-5-3-7-9(6)8-4-5/h1,5H,3-4H2.
What are the key properties of 5-ethynyl-2-sulfanylidenetrithiane?
5-ethynyl-2-sulfanylidenetrithiane has a molecular weight of 194.37 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-sulfanylidenetrithiane is sourced from PubChem (CID 89446924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).