6-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane

C6H9OPS2 — CID 88889724

IUPAC6-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane
SMILESC#CC1CCSP(C)(=S)O1
InChIInChI=1S/C6H9OPS2/c1-3-6-4-5-10-8(2,9)7-6/h1,6H,4-5H2,2H3
InChIKeyUGGQSAKPQDLIHK-UHFFFAOYSA-N
MW192.25 g/mol
LogP2.08
Rot. Bonds

About 6-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane

6-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane (PubChem CID 88889724) has the molecular formula C6H9OPS2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 6-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane.

Molecular Properties

Compound Name6-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane
PubChem CID88889724
Molecular FormulaC6H9OPS2
Molecular Weight192.25 g/mol
Exact Mass191.98
IUPAC Name6-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane
SMILESC#CC1CCSP(C)(=S)O1
InChIInChI=1S/C6H9OPS2/c1-3-6-4-5-10-8(2,9)7-6/h1,6H,4-5H2,2H3
InChIKeyUGGQSAKPQDLIHK-UHFFFAOYSA-N
XLogP2.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 52.08
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'}

Analyze 6-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane?
The IUPAC name of 6-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane (CID 88889724) is 6-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane.
What is the SMILES notation for 6-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane?
The canonical SMILES for 6-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane is C#CC1CCSP(C)(=S)O1.
What is the InChIKey of 6-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane?
The InChIKey is UGGQSAKPQDLIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9OPS2/c1-3-6-4-5-10-8(2,9)7-6/h1,6H,4-5H2,2H3.
What are the key properties of 6-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane?
6-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane has a molecular weight of 192.25 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-2-methyl-2-sulfanylidene-1,3,2λ5-oxathiaphosphinane is sourced from PubChem (CID 88889724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).