5-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde

C12H9ClOS2 — CID 103290693

IUPAC5-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(SCc2ccccc2Cl)s1
InChIInChI=1S/C12H9ClOS2/c13-11-4-2-1-3-9(11)8-15-12-6-5-10(7-14)16-12/h1-7H,8H2
InChIKeyJFWVKQZFPQJCKW-UHFFFAOYSA-N
MW268.79 g/mol
LogP4.51
Rot. Bonds4

About 5-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde

5-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde (PubChem CID 103290693) has the molecular formula C12H9ClOS2 and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde
PubChem CID103290693
Molecular FormulaC12H9ClOS2
Molecular Weight268.79 g/mol
Exact Mass267.98
IUPAC Name5-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(SCc2ccccc2Cl)s1
InChIInChI=1S/C12H9ClOS2/c13-11-4-2-1-3-9(11)8-15-12-6-5-10(7-14)16-12/h1-7H,8H2
InChIKeyJFWVKQZFPQJCKW-UHFFFAOYSA-N
XLogP4.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 54.51
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-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde (CID 103290693) is 5-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde is O=Cc1ccc(SCc2ccccc2Cl)s1.
What is the InChIKey of 5-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde?
The InChIKey is JFWVKQZFPQJCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClOS2/c13-11-4-2-1-3-9(11)8-15-12-6-5-10(7-14)16-12/h1-7H,8H2.
What are the key properties of 5-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde?
5-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde has a molecular weight of 268.79 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylsulfanyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 103290693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).