5-ethynyl-1,1-bis(sulfanylidene)dithiane

C6H8S4 — CID 89442006

IUPAC5-ethynyl-1,1-bis(sulfanylidene)dithiane
SMILESC#CC1CCSS(=S)(=S)C1
InChIInChI=1S/C6H8S4/c1-2-6-3-4-9-10(7,8)5-6/h1,6H,3-5H2
InChIKeySSTQGQMASOAUDQ-UHFFFAOYSA-N
MW208.40 g/mol
LogP1.37
Rot. Bonds

About 5-ethynyl-1,1-bis(sulfanylidene)dithiane

5-ethynyl-1,1-bis(sulfanylidene)dithiane (PubChem CID 89442006) has the molecular formula C6H8S4 and a molecular weight of 208.40 g/mol. Its IUPAC name is 5-ethynyl-1,1-bis(sulfanylidene)dithiane.

Molecular Properties

Compound Name5-ethynyl-1,1-bis(sulfanylidene)dithiane
PubChem CID89442006
Molecular FormulaC6H8S4
Molecular Weight208.40 g/mol
Exact Mass207.95
IUPAC Name5-ethynyl-1,1-bis(sulfanylidene)dithiane
SMILESC#CC1CCSS(=S)(=S)C1
InChIInChI=1S/C6H8S4/c1-2-6-3-4-9-10(7,8)5-6/h1,6H,3-5H2
InChIKeySSTQGQMASOAUDQ-UHFFFAOYSA-N
XLogP1.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.40
LogP ≤ 51.37
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'}

Analyze 5-ethynyl-1,1-bis(sulfanylidene)dithiane with MolForge

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

Launch Full Analysis

Related Compounds

(4R)-5-ethynyl-4-methyltrithiane 2-oxide
CID 88889624
4-Ethynyl-1-sulfanylidenedithiane
CID 88889638
5-Ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 88889659
5-Ethynyl-4,4-dimethyltrithiane 2-oxide
CID 88889753
5-Ethynyl-2-sulfanylidenethiaphosphinan-2-ium
CID 89441952
5-Ethynyl-1-sulfanylidenedithiane
CID 89442005
4-Ethynyl-2-sulfanyl-2-sulfanylidene-1,2lambda5-thiaphosphinane
CID 89442281
5-Ethynyl-4-methyltrithiane 2-oxide
CID 89446225
4-Ethynyl-1,1-bis(sulfanylidene)dithiane
CID 89446346
5-Ethynyl-2-sulfanylidenetrithiane
CID 89446924
4-Ethynyldithiane
CID 89703488
4-Ethynyl-5-methyldithiane
CID 89703613

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-1,1-bis(sulfanylidene)dithiane?
The IUPAC name of 5-ethynyl-1,1-bis(sulfanylidene)dithiane (CID 89442006) is 5-ethynyl-1,1-bis(sulfanylidene)dithiane.
What is the SMILES notation for 5-ethynyl-1,1-bis(sulfanylidene)dithiane?
The canonical SMILES for 5-ethynyl-1,1-bis(sulfanylidene)dithiane is C#CC1CCSS(=S)(=S)C1.
What is the InChIKey of 5-ethynyl-1,1-bis(sulfanylidene)dithiane?
The InChIKey is SSTQGQMASOAUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S4/c1-2-6-3-4-9-10(7,8)5-6/h1,6H,3-5H2.
What are the key properties of 5-ethynyl-1,1-bis(sulfanylidene)dithiane?
5-ethynyl-1,1-bis(sulfanylidene)dithiane has a molecular weight of 208.40 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-1,1-bis(sulfanylidene)dithiane is sourced from PubChem (CID 89442006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).