6-ethynylthiaphosphinane

C6H9PS — CID 88889580

IUPAC6-ethynylthiaphosphinane
SMILESC#CC1CCCPS1
InChIInChI=1S/C6H9PS/c1-2-6-4-3-5-7-8-6/h1,6-7H,3-5H2
InChIKeyYXCWGWNQARUXNX-UHFFFAOYSA-N
MW144.18 g/mol
LogP2.11
Rot. Bonds

About 6-ethynylthiaphosphinane

6-ethynylthiaphosphinane (PubChem CID 88889580) has the molecular formula C6H9PS and a molecular weight of 144.18 g/mol. Its IUPAC name is 6-ethynylthiaphosphinane.

Molecular Properties

Compound Name6-ethynylthiaphosphinane
PubChem CID88889580
Molecular FormulaC6H9PS
Molecular Weight144.18 g/mol
Exact Mass144.02
IUPAC Name6-ethynylthiaphosphinane
SMILESC#CC1CCCPS1
InChIInChI=1S/C6H9PS/c1-2-6-4-3-5-7-8-6/h1,6-7H,3-5H2
InChIKeyYXCWGWNQARUXNX-UHFFFAOYSA-N
XLogP2.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-Ethynyl-2-methylsulfanyl-2-sulfanylidene-1,2lambda5-thiaphosphinane
CID 88889840
6-Ethynyl-2-methyl-2-sulfanylidene-1,2lambda5-thiaphosphinane
CID 89445934

Frequently Asked Questions

What is the IUPAC name of 6-ethynylthiaphosphinane?
The IUPAC name of 6-ethynylthiaphosphinane (CID 88889580) is 6-ethynylthiaphosphinane.
What is the SMILES notation for 6-ethynylthiaphosphinane?
The canonical SMILES for 6-ethynylthiaphosphinane is C#CC1CCCPS1.
What is the InChIKey of 6-ethynylthiaphosphinane?
The InChIKey is YXCWGWNQARUXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9PS/c1-2-6-4-3-5-7-8-6/h1,6-7H,3-5H2.
What are the key properties of 6-ethynylthiaphosphinane?
6-ethynylthiaphosphinane has a molecular weight of 144.18 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynylthiaphosphinane is sourced from PubChem (CID 88889580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).