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

C6H9PS4 — CID 88889659

IUPAC5-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane
SMILESC#CC1CSP(=S)(SC)SC1
InChIInChI=1S/C6H9PS4/c1-3-6-4-10-7(8,9-2)11-5-6/h1,6H,4-5H2,2H3
InChIKeyKNALRHMCNLICSB-UHFFFAOYSA-N
MW240.38 g/mol
LogP3.30
Rot. Bonds1

About 5-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane

5-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane (PubChem CID 88889659) has the molecular formula C6H9PS4 and a molecular weight of 240.38 g/mol. Its IUPAC name is 5-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane.

Molecular Properties

Compound Name5-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane
PubChem CID88889659
Molecular FormulaC6H9PS4
Molecular Weight240.38 g/mol
Exact Mass239.93
IUPAC Name5-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane
SMILESC#CC1CSP(=S)(SC)SC1
InChIInChI=1S/C6H9PS4/c1-3-6-4-10-7(8,9-2)11-5-6/h1,6H,4-5H2,2H3
InChIKeyKNALRHMCNLICSB-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
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'}

Analyze 5-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane with MolForge

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Launch Full Analysis

Related Compounds

(4R)-5-ethynyl-4-methyltrithiane 2-oxide
CID 88889624
5-Ethynyl-2-methyl-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 88889639
5-Ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2lambda5-thiaphosphinane
CID 88889657
4-Ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2lambda5-thiaphosphinane
CID 88890006
5-Ethynyl-1,1-bis(sulfanylidene)dithiane
CID 89442006
4-Ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 89442279
5-Ethynyl-2-methylsulfanyl-1,3,2lambda5-dithiaphosphinane 2-oxide
CID 89446182
5-Ethynyl-4-methyltrithiane 2-oxide
CID 89446225
4-Ethynyl-1,1-bis(sulfanylidene)dithiane
CID 89446346
5-Ethynyl-2-sulfanylidenetrithiane
CID 89446924
4-Ethynyl-5-methyldithiane
CID 89703613

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
The IUPAC name of 5-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane (CID 88889659) is 5-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane.
What is the SMILES notation for 5-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
The canonical SMILES for 5-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane is C#CC1CSP(=S)(SC)SC1.
What is the InChIKey of 5-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
The InChIKey is KNALRHMCNLICSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9PS4/c1-3-6-4-10-7(8,9-2)11-5-6/h1,6H,4-5H2,2H3.
What are the key properties of 5-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
5-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane has a molecular weight of 240.38 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane is sourced from PubChem (CID 88889659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).