6-ethynyl-2-methyl-2-sulfanylidene-1,2λ5-thiaphosphinane

C7H11PS2 — CID 89445934

IUPAC6-ethynyl-2-methyl-2-sulfanylidene-1,2λ5-thiaphosphinane
SMILESC#CC1CCCP(C)(=S)S1
InChIInChI=1S/C7H11PS2/c1-3-7-5-4-6-8(2,9)10-7/h1,7H,4-6H2,2H3
InChIKeyHZLBCYNZYOLIJG-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.54
Rot. Bonds

About 6-ethynyl-2-methyl-2-sulfanylidene-1,2λ5-thiaphosphinane

6-ethynyl-2-methyl-2-sulfanylidene-1,2λ5-thiaphosphinane (PubChem CID 89445934) has the molecular formula C7H11PS2 and a molecular weight of 190.27 g/mol. Its IUPAC name is 6-ethynyl-2-methyl-2-sulfanylidene-1,2λ5-thiaphosphinane.

Molecular Properties

Compound Name6-ethynyl-2-methyl-2-sulfanylidene-1,2λ5-thiaphosphinane
PubChem CID89445934
Molecular FormulaC7H11PS2
Molecular Weight190.27 g/mol
Exact Mass190.00
IUPAC Name6-ethynyl-2-methyl-2-sulfanylidene-1,2λ5-thiaphosphinane
SMILESC#CC1CCCP(C)(=S)S1
InChIInChI=1S/C7H11PS2/c1-3-7-5-4-6-8(2,9)10-7/h1,7H,4-6H2,2H3
InChIKeyHZLBCYNZYOLIJG-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Ethynylthiaphosphinane
CID 88889580
5-Ethynyl-2-methyl-2-sulfanylidene-1,2lambda5-thiaphosphinane
CID 88889643
4-Ethynyl-2-methyl-2-sulfanylidene-1,2lambda5-thiaphosphinane
CID 88889703
6-Ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2lambda5-thiaphosphinane
CID 88889840
6-Ethynyl-2-methylsulfanyl-1,2lambda5-thiaphosphinane 2-oxide
CID 88890003
6-Ethynyl-2-methyl-1,2lambda5-thiaphosphinane 2-oxide
CID 89441999
4-Ethynyl-2-methyl-2-sulfanylidene-1,3,2lambda5-dithiaphosphinane
CID 89445903

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-2-methyl-2-sulfanylidene-1,2λ5-thiaphosphinane?
The IUPAC name of 6-ethynyl-2-methyl-2-sulfanylidene-1,2λ5-thiaphosphinane (CID 89445934) is 6-ethynyl-2-methyl-2-sulfanylidene-1,2λ5-thiaphosphinane.
What is the SMILES notation for 6-ethynyl-2-methyl-2-sulfanylidene-1,2λ5-thiaphosphinane?
The canonical SMILES for 6-ethynyl-2-methyl-2-sulfanylidene-1,2λ5-thiaphosphinane is C#CC1CCCP(C)(=S)S1.
What is the InChIKey of 6-ethynyl-2-methyl-2-sulfanylidene-1,2λ5-thiaphosphinane?
The InChIKey is HZLBCYNZYOLIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11PS2/c1-3-7-5-4-6-8(2,9)10-7/h1,7H,4-6H2,2H3.
What are the key properties of 6-ethynyl-2-methyl-2-sulfanylidene-1,2λ5-thiaphosphinane?
6-ethynyl-2-methyl-2-sulfanylidene-1,2λ5-thiaphosphinane has a molecular weight of 190.27 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-2-methyl-2-sulfanylidene-1,2λ5-thiaphosphinane is sourced from PubChem (CID 89445934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).