5-methyl-2-methylsulfanylthiophene-3-carbaldehyde

C7H8OS2 — CID 770027

IUPAC5-methyl-2-methylsulfanylthiophene-3-carbaldehyde
SMILESCSc1sc(C)cc1C=O
InChIInChI=1S/C7H8OS2/c1-5-3-6(4-8)7(9-2)10-5/h3-4H,1-2H3
InChIKeyWMHMBBVVMMDATQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.59
Rot. Bonds2

About 5-methyl-2-methylsulfanylthiophene-3-carbaldehyde

5-methyl-2-methylsulfanylthiophene-3-carbaldehyde (PubChem CID 770027) has the molecular formula C7H8OS2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-methyl-2-methylsulfanylthiophene-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-2-methylsulfanylthiophene-3-carbaldehyde
PubChem CID770027
Molecular FormulaC7H8OS2
Molecular Weight172.27 g/mol
Exact Mass172.00
IUPAC Name5-methyl-2-methylsulfanylthiophene-3-carbaldehyde
SMILESCSc1sc(C)cc1C=O
InChIInChI=1S/C7H8OS2/c1-5-3-6(4-8)7(9-2)10-5/h3-4H,1-2H3
InChIKeyWMHMBBVVMMDATQ-UHFFFAOYSA-N
XLogP2.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.59
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-methyl-2-methylsulfanylthiophene-3-carbaldehyde?
The IUPAC name of 5-methyl-2-methylsulfanylthiophene-3-carbaldehyde (CID 770027) is 5-methyl-2-methylsulfanylthiophene-3-carbaldehyde.
What is the SMILES notation for 5-methyl-2-methylsulfanylthiophene-3-carbaldehyde?
The canonical SMILES for 5-methyl-2-methylsulfanylthiophene-3-carbaldehyde is CSc1sc(C)cc1C=O.
What is the InChIKey of 5-methyl-2-methylsulfanylthiophene-3-carbaldehyde?
The InChIKey is WMHMBBVVMMDATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS2/c1-5-3-6(4-8)7(9-2)10-5/h3-4H,1-2H3.
What are the key properties of 5-methyl-2-methylsulfanylthiophene-3-carbaldehyde?
5-methyl-2-methylsulfanylthiophene-3-carbaldehyde has a molecular weight of 172.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfanylthiophene-3-carbaldehyde is sourced from PubChem (CID 770027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).