1-ethyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole

C6H11PS — CID 23435123

IUPAC1-ethyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole
SMILESCCP1(=S)CC=CC1
InChIInChI=1S/C6H11PS/c1-2-7(8)5-3-4-6-7/h3-4H,2,5-6H2,1H3
InChIKeyKIEQWNNXIBBXTM-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.06
Rot. Bonds1

About 1-ethyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole

1-ethyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole (PubChem CID 23435123) has the molecular formula C6H11PS and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-ethyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole.

Molecular Properties

Compound Name1-ethyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole
PubChem CID23435123
Molecular FormulaC6H11PS
Molecular Weight146.19 g/mol
Exact Mass146.03
IUPAC Name1-ethyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole
SMILESCCP1(=S)CC=CC1
InChIInChI=1S/C6H11PS/c1-2-7(8)5-3-4-6-7/h3-4H,2,5-6H2,1H3
InChIKeyKIEQWNNXIBBXTM-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole?
The IUPAC name of 1-ethyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole (CID 23435123) is 1-ethyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole.
What is the SMILES notation for 1-ethyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole?
The canonical SMILES for 1-ethyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole is CCP1(=S)CC=CC1.
What is the InChIKey of 1-ethyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole?
The InChIKey is KIEQWNNXIBBXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11PS/c1-2-7(8)5-3-4-6-7/h3-4H,2,5-6H2,1H3.
What are the key properties of 1-ethyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole?
1-ethyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole has a molecular weight of 146.19 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole is sourced from PubChem (CID 23435123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).