4-(chloromethyl)thiophene-2-carbaldehyde

C6H5ClOS — CID 1415671

IUPAC4-(chloromethyl)thiophene-2-carbaldehyde
SMILESO=Cc1cc(CCl)cs1
InChIInChI=1S/C6H5ClOS/c7-2-5-1-6(3-8)9-4-5/h1,3-4H,2H2
InChIKeyRXGWEJJMCNQFAB-UHFFFAOYSA-N
MW160.62 g/mol
LogP2.30
Rot. Bonds2

About 4-(chloromethyl)thiophene-2-carbaldehyde

4-(chloromethyl)thiophene-2-carbaldehyde (PubChem CID 1415671) has the molecular formula C6H5ClOS and a molecular weight of 160.62 g/mol. Its IUPAC name is 4-(chloromethyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-(chloromethyl)thiophene-2-carbaldehyde
PubChem CID1415671
Molecular FormulaC6H5ClOS
Molecular Weight160.62 g/mol
Exact Mass159.97
IUPAC Name4-(chloromethyl)thiophene-2-carbaldehyde
SMILESO=Cc1cc(CCl)cs1
InChIInChI=1S/C6H5ClOS/c7-2-5-1-6(3-8)9-4-5/h1,3-4H,2H2
InChIKeyRXGWEJJMCNQFAB-UHFFFAOYSA-N
XLogP2.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.62
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)thiophene-2-carbaldehyde?
The IUPAC name of 4-(chloromethyl)thiophene-2-carbaldehyde (CID 1415671) is 4-(chloromethyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 4-(chloromethyl)thiophene-2-carbaldehyde?
The canonical SMILES for 4-(chloromethyl)thiophene-2-carbaldehyde is O=Cc1cc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)thiophene-2-carbaldehyde?
The InChIKey is RXGWEJJMCNQFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClOS/c7-2-5-1-6(3-8)9-4-5/h1,3-4H,2H2.
What are the key properties of 4-(chloromethyl)thiophene-2-carbaldehyde?
4-(chloromethyl)thiophene-2-carbaldehyde has a molecular weight of 160.62 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 1415671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).