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

C7H11OPS2 — CID 89445877

IUPAC4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-oxaphosphinane
SMILESC#CC1CCOP(=S)(SC)C1
InChIInChI=1S/C7H11OPS2/c1-3-7-4-5-8-9(10,6-7)11-2/h1,7H,4-6H2,2H3
InChIKeyBLFFEOURIPOTBS-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.33
Rot. Bonds1

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

4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-oxaphosphinane (PubChem CID 89445877) has the molecular formula C7H11OPS2 and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-oxaphosphinane.

Molecular Properties

Compound Name4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-oxaphosphinane
PubChem CID89445877
Molecular FormulaC7H11OPS2
Molecular Weight206.27 g/mol
Exact Mass206.00
IUPAC Name4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-oxaphosphinane
SMILESC#CC1CCOP(=S)(SC)C1
InChIInChI=1S/C7H11OPS2/c1-3-7-4-5-8-9(10,6-7)11-2/h1,7H,4-6H2,2H3
InChIKeyBLFFEOURIPOTBS-UHFFFAOYSA-N
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.33
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

5-Ethynyl-2-methyl-2-sulfanylidene-1,3,2lambda5-oxathiaphosphinane
CID 88889635
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-2-sulfanylidene-1,2lambda5-thiaphosphinane
CID 88889999
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-methyl-2-sulfanylidene-1,2lambda5-oxaphosphinane
CID 89445932
4-Ethynyl-2-methoxy-2-sulfanylidene-1,2lambda5-oxaphosphinane
CID 89446045
5-Ethynyl-2-methyl-2-sulfanylidene-1,2lambda5-oxaphosphinane
CID 89446134
5-Ethynyl-2-methoxy-2-sulfanylidene-1,2lambda5-thiaphosphinane
CID 89446210

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-oxaphosphinane?
The IUPAC name of 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-oxaphosphinane (CID 89445877) is 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-oxaphosphinane.
What is the SMILES notation for 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-oxaphosphinane?
The canonical SMILES for 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-oxaphosphinane is C#CC1CCOP(=S)(SC)C1.
What is the InChIKey of 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-oxaphosphinane?
The InChIKey is BLFFEOURIPOTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11OPS2/c1-3-7-4-5-8-9(10,6-7)11-2/h1,7H,4-6H2,2H3.
What are the key properties of 4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-oxaphosphinane?
4-ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2λ5-oxaphosphinane has a molecular weight of 206.27 g/mol, XLogP of 2.33, 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-oxaphosphinane is sourced from PubChem (CID 89445877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).