3-methoxythiophene-2-carbaldehyde

C6H6O2S — CID 588315

IUPAC3-methoxythiophene-2-carbaldehyde
SMILESCOc1ccsc1C=O
InChIInChI=1S/C6H6O2S/c1-8-5-2-3-9-6(5)4-7/h2-4H,1H3
InChIKeyKGJDTMQUUPIAEF-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.57
Rot. Bonds2

About 3-methoxythiophene-2-carbaldehyde

3-methoxythiophene-2-carbaldehyde (PubChem CID 588315) has the molecular formula C6H6O2S and a molecular weight of 142.18 g/mol. Its IUPAC name is 3-methoxythiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-methoxythiophene-2-carbaldehyde
PubChem CID588315
Molecular FormulaC6H6O2S
Molecular Weight142.18 g/mol
Exact Mass142.01
IUPAC Name3-methoxythiophene-2-carbaldehyde
SMILESCOc1ccsc1C=O
InChIInChI=1S/C6H6O2S/c1-8-5-2-3-9-6(5)4-7/h2-4H,1H3
InChIKeyKGJDTMQUUPIAEF-UHFFFAOYSA-N
XLogP1.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxythiophene-2-carbaldehyde?
The IUPAC name of 3-methoxythiophene-2-carbaldehyde (CID 588315) is 3-methoxythiophene-2-carbaldehyde.
What is the SMILES notation for 3-methoxythiophene-2-carbaldehyde?
The canonical SMILES for 3-methoxythiophene-2-carbaldehyde is COc1ccsc1C=O.
What is the InChIKey of 3-methoxythiophene-2-carbaldehyde?
The InChIKey is KGJDTMQUUPIAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2S/c1-8-5-2-3-9-6(5)4-7/h2-4H,1H3.
What are the key properties of 3-methoxythiophene-2-carbaldehyde?
3-methoxythiophene-2-carbaldehyde has a molecular weight of 142.18 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxythiophene-2-carbaldehyde is sourced from PubChem (CID 588315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).