5-methoxy-3-methylsulfanylthiophene-2-carbaldehyde

C7H8O2S2 — CID 12643591

IUPAC5-methoxy-3-methylsulfanylthiophene-2-carbaldehyde
SMILESCOc1cc(SC)c(C=O)s1
InChIInChI=1S/C7H8O2S2/c1-9-7-3-5(10-2)6(4-8)11-7/h3-4H,1-2H3
InChIKeyVMWYZHUEWKSSRA-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.29
Rot. Bonds3

About 5-methoxy-3-methylsulfanylthiophene-2-carbaldehyde

5-methoxy-3-methylsulfanylthiophene-2-carbaldehyde (PubChem CID 12643591) has the molecular formula C7H8O2S2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-methoxy-3-methylsulfanylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-3-methylsulfanylthiophene-2-carbaldehyde
PubChem CID12643591
Molecular FormulaC7H8O2S2
Molecular Weight188.27 g/mol
Exact Mass188.00
IUPAC Name5-methoxy-3-methylsulfanylthiophene-2-carbaldehyde
SMILESCOc1cc(SC)c(C=O)s1
InChIInChI=1S/C7H8O2S2/c1-9-7-3-5(10-2)6(4-8)11-7/h3-4H,1-2H3
InChIKeyVMWYZHUEWKSSRA-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxy-3-methylsulfanylthiophene-2-carbaldehyde?
The IUPAC name of 5-methoxy-3-methylsulfanylthiophene-2-carbaldehyde (CID 12643591) is 5-methoxy-3-methylsulfanylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-methoxy-3-methylsulfanylthiophene-2-carbaldehyde?
The canonical SMILES for 5-methoxy-3-methylsulfanylthiophene-2-carbaldehyde is COc1cc(SC)c(C=O)s1.
What is the InChIKey of 5-methoxy-3-methylsulfanylthiophene-2-carbaldehyde?
The InChIKey is VMWYZHUEWKSSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S2/c1-9-7-3-5(10-2)6(4-8)11-7/h3-4H,1-2H3.
What are the key properties of 5-methoxy-3-methylsulfanylthiophene-2-carbaldehyde?
5-methoxy-3-methylsulfanylthiophene-2-carbaldehyde has a molecular weight of 188.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methylsulfanylthiophene-2-carbaldehyde is sourced from PubChem (CID 12643591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).