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

C6H9PS3 — CID 88889639

IUPAC5-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane
SMILESC#CC1CSP(C)(=S)SC1
InChIInChI=1S/C6H9PS3/c1-3-6-4-9-7(2,8)10-5-6/h1,6H,4-5H2,2H3
InChIKeyUGUOVGSZPHXRIW-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.66
Rot. Bonds

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

5-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane (PubChem CID 88889639) has the molecular formula C6H9PS3 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane.

Molecular Properties

Compound Name5-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane
PubChem CID88889639
Molecular FormulaC6H9PS3
Molecular Weight208.31 g/mol
Exact Mass207.96
IUPAC Name5-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane
SMILESC#CC1CSP(C)(=S)SC1
InChIInChI=1S/C6H9PS3/c1-3-6-4-9-7(2,8)10-5-6/h1,6H,4-5H2,2H3
InChIKeyUGUOVGSZPHXRIW-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.66
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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Launch Full Analysis

Related Compounds

(4R)-5-ethynyl-4-methyltrithiane 2-oxide
CID 88889624
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-2-sulfanylidene-1,2lambda5-thiaphosphinane
CID 88890006
5-Ethynyl-2-sulfanylidenethiaphosphinan-2-ium
CID 89441952
4-Ethynyl-2-sulfanyl-2-sulfanylidene-1,2lambda5-thiaphosphinane
CID 89442281
4-Ethynyl-2-methyl-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 89445903
5-Ethynyl-2-methyl-1,3,2lambda5-dithiaphosphinane 2-oxide
CID 89446163
5-Ethynyl-2-methylsulfanyl-1,3,2lambda5-dithiaphosphinane 2-oxide
CID 89446182

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
The IUPAC name of 5-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane (CID 88889639) is 5-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane.
What is the SMILES notation for 5-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
The canonical SMILES for 5-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane is C#CC1CSP(C)(=S)SC1.
What is the InChIKey of 5-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
The InChIKey is UGUOVGSZPHXRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9PS3/c1-3-6-4-9-7(2,8)10-5-6/h1,6H,4-5H2,2H3.
What are the key properties of 5-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane?
5-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane has a molecular weight of 208.31 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-dithiaphosphinane is sourced from PubChem (CID 88889639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).