4-ethynyl-2-methoxy-2-sulfanylidene-1,2λ5-oxaphosphinane

C7H11O2PS — CID 89446045

IUPAC4-ethynyl-2-methoxy-2-sulfanylidene-1,2λ5-oxaphosphinane
SMILESC#CC1CCOP(=S)(OC)C1
InChIInChI=1S/C7H11O2PS/c1-3-7-4-5-9-10(11,6-7)8-2/h1,7H,4-6H2,2H3
InChIKeyUUFGZQOBZMCOMC-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.61
Rot. Bonds1

About 4-ethynyl-2-methoxy-2-sulfanylidene-1,2λ5-oxaphosphinane

4-ethynyl-2-methoxy-2-sulfanylidene-1,2λ5-oxaphosphinane (PubChem CID 89446045) has the molecular formula C7H11O2PS and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-ethynyl-2-methoxy-2-sulfanylidene-1,2λ5-oxaphosphinane.

Molecular Properties

Compound Name4-ethynyl-2-methoxy-2-sulfanylidene-1,2λ5-oxaphosphinane
PubChem CID89446045
Molecular FormulaC7H11O2PS
Molecular Weight190.20 g/mol
Exact Mass190.02
IUPAC Name4-ethynyl-2-methoxy-2-sulfanylidene-1,2λ5-oxaphosphinane
SMILESC#CC1CCOP(=S)(OC)C1
InChIInChI=1S/C7H11O2PS/c1-3-7-4-5-9-10(11,6-7)8-2/h1,7H,4-6H2,2H3
InChIKeyUUFGZQOBZMCOMC-UHFFFAOYSA-N
XLogP1.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.61
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 4-ethynyl-2-methoxy-2-sulfanylidene-1,2λ5-oxaphosphinane with MolForge

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

Launch Full Analysis

Related Compounds

(5R)-5-ethynyl-2-methoxy-1,2lambda5-oxaphosphinane 2-oxide
CID 88889649
5-Ethynyl-2-methoxy-2-sulfanylidene-1,2lambda5-oxaphosphinane
CID 88889655
5-Ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2lambda5-oxaphosphinane
CID 88889662
4-Ethynyl-2-methoxy-5-methyl-1,2lambda5-oxaphosphinane 2-oxide
CID 88889945
4-Ethynyl-2-methoxy-1,2lambda5-oxaphosphinane 2-oxide
CID 88890179
4-Ethynyl-2-methylsulfanyl-1,2lambda5-oxaphosphinane 2-oxide
CID 88890195
5-Ethynyl-2-methylsulfanyl-1,2lambda5-oxaphosphinane 2-oxide
CID 89441956
4-Ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2lambda5-oxaphosphinane
CID 89445877
4-Ethynyl-2-hydroxy-1,2lambda5-oxaphosphinane 2-oxide
CID 89445921
4-Ethynyl-2-methyl-2-sulfanylidene-1,2lambda5-oxaphosphinane
CID 89445932
4-Ethynyl-2-methyl-1,2lambda5-oxaphosphinane 2-oxide
CID 89446036
5-Ethynyl-2-methyl-1,2lambda5-oxaphosphinane 2-oxide
CID 89446068

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-2-methoxy-2-sulfanylidene-1,2λ5-oxaphosphinane?
The IUPAC name of 4-ethynyl-2-methoxy-2-sulfanylidene-1,2λ5-oxaphosphinane (CID 89446045) is 4-ethynyl-2-methoxy-2-sulfanylidene-1,2λ5-oxaphosphinane.
What is the SMILES notation for 4-ethynyl-2-methoxy-2-sulfanylidene-1,2λ5-oxaphosphinane?
The canonical SMILES for 4-ethynyl-2-methoxy-2-sulfanylidene-1,2λ5-oxaphosphinane is C#CC1CCOP(=S)(OC)C1.
What is the InChIKey of 4-ethynyl-2-methoxy-2-sulfanylidene-1,2λ5-oxaphosphinane?
The InChIKey is UUFGZQOBZMCOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O2PS/c1-3-7-4-5-9-10(11,6-7)8-2/h1,7H,4-6H2,2H3.
What are the key properties of 4-ethynyl-2-methoxy-2-sulfanylidene-1,2λ5-oxaphosphinane?
4-ethynyl-2-methoxy-2-sulfanylidene-1,2λ5-oxaphosphinane has a molecular weight of 190.20 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-2-methoxy-2-sulfanylidene-1,2λ5-oxaphosphinane is sourced from PubChem (CID 89446045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).