2-chloro-5-methylthiophene-3-carbaldehyde

C6H5ClOS — CID 83480225

IUPAC2-chloro-5-methylthiophene-3-carbaldehyde
SMILESCc1cc(C=O)c(Cl)s1
InChIInChI=1S/C6H5ClOS/c1-4-2-5(3-8)6(7)9-4/h2-3H,1H3
InChIKeyFOHRJSJKSOCUQV-UHFFFAOYSA-N
MW160.62 g/mol
LogP2.52
Rot. Bonds1

About 2-chloro-5-methylthiophene-3-carbaldehyde

2-chloro-5-methylthiophene-3-carbaldehyde (PubChem CID 83480225) has the molecular formula C6H5ClOS and a molecular weight of 160.62 g/mol. Its IUPAC name is 2-chloro-5-methylthiophene-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5-methylthiophene-3-carbaldehyde
PubChem CID83480225
Molecular FormulaC6H5ClOS
Molecular Weight160.62 g/mol
Exact Mass159.97
IUPAC Name2-chloro-5-methylthiophene-3-carbaldehyde
SMILESCc1cc(C=O)c(Cl)s1
InChIInChI=1S/C6H5ClOS/c1-4-2-5(3-8)6(7)9-4/h2-3H,1H3
InChIKeyFOHRJSJKSOCUQV-UHFFFAOYSA-N
XLogP2.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.62
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylthiophene-3-carbaldehyde?
The IUPAC name of 2-chloro-5-methylthiophene-3-carbaldehyde (CID 83480225) is 2-chloro-5-methylthiophene-3-carbaldehyde.
What is the SMILES notation for 2-chloro-5-methylthiophene-3-carbaldehyde?
The canonical SMILES for 2-chloro-5-methylthiophene-3-carbaldehyde is Cc1cc(C=O)c(Cl)s1.
What is the InChIKey of 2-chloro-5-methylthiophene-3-carbaldehyde?
The InChIKey is FOHRJSJKSOCUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClOS/c1-4-2-5(3-8)6(7)9-4/h2-3H,1H3.
What are the key properties of 2-chloro-5-methylthiophene-3-carbaldehyde?
2-chloro-5-methylthiophene-3-carbaldehyde has a molecular weight of 160.62 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylthiophene-3-carbaldehyde is sourced from PubChem (CID 83480225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).