3-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phospholane

C6H9OPS — CID 89441927

IUPAC3-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phospholane
SMILESC#CC1CCP(O)(=S)C1
InChIInChI=1S/C6H9OPS/c1-2-6-3-4-8(7,9)5-6/h1,6H,3-5H2,(H,7,9)
InChIKeyLNAYKLVSBUVTIM-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.03
Rot. Bonds

About 3-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phospholane

3-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phospholane (PubChem CID 89441927) has the molecular formula C6H9OPS and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phospholane.

Molecular Properties

Compound Name3-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phospholane
PubChem CID89441927
Molecular FormulaC6H9OPS
Molecular Weight160.18 g/mol
Exact Mass160.01
IUPAC Name3-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phospholane
SMILESC#CC1CCP(O)(=S)C1
InChIInChI=1S/C6H9OPS/c1-2-6-3-4-8(7,9)5-6/h1,6H,3-5H2,(H,7,9)
InChIKeyLNAYKLVSBUVTIM-UHFFFAOYSA-N
XLogP1.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.03
H-Bond Donors ≤ 51
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

4-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phosphinane
CID 89441929
3-ethynyl-1-methyl-1λ5-phospholane 1-oxide
CID 89445711
4-ethynyl-2-hydroxy-1,2λ5-oxaphosphinane 2-oxide
CID 89445921
4-ethynyl-N,N-dimethyl-2-sulfanylidene-1,2λ5-oxaphosphinan-2-amine
CID 89446008
tris(ethynylcyclohexane);phosphorous acid
CID 175386869
4-ethynyl-1-methoxy-1λ5-phosphinane 1-oxide
CID 88889648
ethane-1,2-diol;ethynylcyclopropane
CID 90281730
1-bromo-4-ethynylcyclohexane
CID 147846711
cis-(1R,3S)-3-ethynylcyclohexan-1-ol
CID 124603854
3-ethynyl-1-hydroxy-3,4-dihydro-2H-1λ5-phosphinine 1-oxide
CID 89442214
trans-(1R,3R)-1,3-diethynylcyclohexane
CID 45079190
3-ethynylcyclohexane-1-carboxylic acid
CID 139914297

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phospholane?
The IUPAC name of 3-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phospholane (CID 89441927) is 3-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phospholane.
What is the SMILES notation for 3-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phospholane?
The canonical SMILES for 3-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phospholane is C#CC1CCP(O)(=S)C1.
What is the InChIKey of 3-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phospholane?
The InChIKey is LNAYKLVSBUVTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9OPS/c1-2-6-3-4-8(7,9)5-6/h1,6H,3-5H2,(H,7,9).
What are the key properties of 3-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phospholane?
3-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phospholane has a molecular weight of 160.18 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phospholane is sourced from PubChem (CID 89441927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).