4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane

C6H9PS4 — CID 89442279

IUPAC4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane
SMILESC#CC1CCSP(=S)(SC)S1
InChIInChI=1S/C6H9PS4/c1-3-6-4-5-10-7(8,9-2)11-6/h1,6H,4-5H2,2H3
InChIKeyJJRLBHTWUUKBDD-UHFFFAOYSA-N
MW240.38 g/mol
LogP3.45
Rot. Bonds1

About 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane

4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane (PubChem CID 89442279) has the molecular formula C6H9PS4 and a molecular weight of 240.38 g/mol. Its IUPAC name is 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane.

Molecular Properties

Compound Name4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane
PubChem CID89442279
Molecular FormulaC6H9PS4
Molecular Weight240.38 g/mol
Exact Mass239.93
IUPAC Name4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane
SMILESC#CC1CCSP(=S)(SC)S1
InChIInChI=1S/C6H9PS4/c1-3-6-4-5-10-7(8,9-2)11-6/h1,6H,4-5H2,2H3
InChIKeyJJRLBHTWUUKBDD-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Phosphorotetrathioic acid, S,S-dimethyl S-(prop-2-ynyl) ester
CID 86956
5-Ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 88889659
4-Ethynyl-2-sulfanylidenetrithiane
CID 88889735
3-Ethynyl-1,1-bis(sulfanylidene)dithiane
CID 89445882
4-Ethynyl-2,2-bis(sulfanylidene)trithiane
CID 89445885
4-Ethynyl-2-methyl-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 89445903
Bis(ethylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphane
CID 170529179

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
The IUPAC name of 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane (CID 89442279) is 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane.
What is the SMILES notation for 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
The canonical SMILES for 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane is C#CC1CCSP(=S)(SC)S1.
What is the InChIKey of 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
The InChIKey is JJRLBHTWUUKBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9PS4/c1-3-6-4-5-10-7(8,9-2)11-6/h1,6H,4-5H2,2H3.
What are the key properties of 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane has a molecular weight of 240.38 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane is sourced from PubChem (CID 89442279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).