4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-thiaphosphinane

C7H11PS3 — CID 88890006

IUPAC4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-thiaphosphinane
SMILESC#CC1CCSP(=S)(SC)C1
InChIInChI=1S/C7H11PS3/c1-3-7-4-5-11-8(9,6-7)10-2/h1,7H,4-6H2,2H3
InChIKeyURGHRSKSFGAXKL-UHFFFAOYSA-N
MW222.34 g/mol
LogP3.05
Rot. Bonds1

About 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-thiaphosphinane

4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-thiaphosphinane (PubChem CID 88890006) has the molecular formula C7H11PS3 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-thiaphosphinane.

Molecular Properties

Compound Name4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-thiaphosphinane
PubChem CID88890006
Molecular FormulaC7H11PS3
Molecular Weight222.34 g/mol
Exact Mass221.98
IUPAC Name4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-thiaphosphinane
SMILESC#CC1CCSP(=S)(SC)C1
InChIInChI=1S/C7H11PS3/c1-3-7-4-5-11-8(9,6-7)10-2/h1,7H,4-6H2,2H3
InChIKeyURGHRSKSFGAXKL-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-5-ethynyl-4-methyltrithiane 2-oxide
CID 88889624
4-Ethynyl-1-sulfanylidenedithiane
CID 88889638
5-Ethynyl-2-methyl-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 88889639
5-Ethynyl-2-methyl-2-sulfanylidene-1,2lambda5-thiaphosphinane
CID 88889643
5-Ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2lambda5-thiaphosphinane
CID 88889657
5-Ethynyl-2-methylsulfanyl-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 88889659
4-Ethynyl-2-methyl-2-sulfanylidene-1,2lambda5-thiaphosphinane
CID 88889703
6-Ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2lambda5-thiaphosphinane
CID 88889840
4-Ethynyl-2-methylsulfanyl-1,2lambda5-thiaphosphinane 2-oxide
CID 88889900
5-Ethynyl-2-sulfanylidenethiaphosphinan-2-ium
CID 89441952
5-Ethynyl-2-methylsulfanyl-1,2lambda5-thiaphosphinane 2-oxide
CID 89441972
5-Ethynyl-1-sulfanylidenedithiane
CID 89442005

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-thiaphosphinane?
The IUPAC name of 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-thiaphosphinane (CID 88890006) is 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-thiaphosphinane.
What is the SMILES notation for 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-thiaphosphinane?
The canonical SMILES for 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-thiaphosphinane is C#CC1CCSP(=S)(SC)C1.
What is the InChIKey of 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-thiaphosphinane?
The InChIKey is URGHRSKSFGAXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11PS3/c1-3-7-4-5-11-8(9,6-7)10-2/h1,7H,4-6H2,2H3.
What are the key properties of 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-thiaphosphinane?
4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-thiaphosphinane has a molecular weight of 222.34 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-thiaphosphinane is sourced from PubChem (CID 88890006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).