5-ethylthiophen-3-ol

C6H8OS — CID 57200884

IUPAC5-ethylthiophen-3-ol
SMILESCCc1cc(O)cs1
InChIInChI=1S/C6H8OS/c1-2-6-3-5(7)4-8-6/h3-4,7H,2H2,1H3
InChIKeyFCLDYQFXVABGMK-UHFFFAOYSA-N
MW128.20 g/mol
LogP2.02
Rot. Bonds1

About 5-ethylthiophen-3-ol

5-ethylthiophen-3-ol (PubChem CID 57200884) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 5-ethylthiophen-3-ol.

Molecular Properties

Compound Name5-ethylthiophen-3-ol
PubChem CID57200884
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name5-ethylthiophen-3-ol
SMILESCCc1cc(O)cs1
InChIInChI=1S/C6H8OS/c1-2-6-3-5(7)4-8-6/h3-4,7H,2H2,1H3
InChIKeyFCLDYQFXVABGMK-UHFFFAOYSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethylthiophen-3-ol?
The IUPAC name of 5-ethylthiophen-3-ol (CID 57200884) is 5-ethylthiophen-3-ol.
What is the SMILES notation for 5-ethylthiophen-3-ol?
The canonical SMILES for 5-ethylthiophen-3-ol is CCc1cc(O)cs1.
What is the InChIKey of 5-ethylthiophen-3-ol?
The InChIKey is FCLDYQFXVABGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-2-6-3-5(7)4-8-6/h3-4,7H,2H2,1H3.
What are the key properties of 5-ethylthiophen-3-ol?
5-ethylthiophen-3-ol has a molecular weight of 128.20 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylthiophen-3-ol is sourced from PubChem (CID 57200884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).