5-methylsulfanylthiophene-3-carbaldehyde

C6H6OS2 — CID 11240634

IUPAC5-methylsulfanylthiophene-3-carbaldehyde
SMILESCSc1cc(C=O)cs1
InChIInChI=1S/C6H6OS2/c1-8-6-2-5(3-7)4-9-6/h2-4H,1H3
InChIKeyNOIXCSMAOWHQQO-UHFFFAOYSA-N
MW158.25 g/mol
LogP2.28
Rot. Bonds2

About 5-methylsulfanylthiophene-3-carbaldehyde

5-methylsulfanylthiophene-3-carbaldehyde (PubChem CID 11240634) has the molecular formula C6H6OS2 and a molecular weight of 158.25 g/mol. Its IUPAC name is 5-methylsulfanylthiophene-3-carbaldehyde.

Molecular Properties

Compound Name5-methylsulfanylthiophene-3-carbaldehyde
PubChem CID11240634
Molecular FormulaC6H6OS2
Molecular Weight158.25 g/mol
Exact Mass157.99
IUPAC Name5-methylsulfanylthiophene-3-carbaldehyde
SMILESCSc1cc(C=O)cs1
InChIInChI=1S/C6H6OS2/c1-8-6-2-5(3-7)4-9-6/h2-4H,1H3
InChIKeyNOIXCSMAOWHQQO-UHFFFAOYSA-N
XLogP2.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 52.28
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 5-methylsulfanylthiophene-3-carbaldehyde?
The IUPAC name of 5-methylsulfanylthiophene-3-carbaldehyde (CID 11240634) is 5-methylsulfanylthiophene-3-carbaldehyde.
What is the SMILES notation for 5-methylsulfanylthiophene-3-carbaldehyde?
The canonical SMILES for 5-methylsulfanylthiophene-3-carbaldehyde is CSc1cc(C=O)cs1.
What is the InChIKey of 5-methylsulfanylthiophene-3-carbaldehyde?
The InChIKey is NOIXCSMAOWHQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6OS2/c1-8-6-2-5(3-7)4-9-6/h2-4H,1H3.
What are the key properties of 5-methylsulfanylthiophene-3-carbaldehyde?
5-methylsulfanylthiophene-3-carbaldehyde has a molecular weight of 158.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanylthiophene-3-carbaldehyde is sourced from PubChem (CID 11240634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).