4-(2,5-dichlorothiophen-3-yl)benzaldehyde

C11H6Cl2OS — CID 125491605

IUPAC4-(2,5-dichlorothiophen-3-yl)benzaldehyde
SMILESO=Cc1ccc(-c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C11H6Cl2OS/c12-10-5-9(11(13)15-10)8-3-1-7(6-14)2-4-8/h1-6H
InChIKeyRWFMPYMQXAVLBN-UHFFFAOYSA-N
MW257.14 g/mol
LogP4.53
Rot. Bonds2

About 4-(2,5-dichlorothiophen-3-yl)benzaldehyde

4-(2,5-dichlorothiophen-3-yl)benzaldehyde (PubChem CID 125491605) has the molecular formula C11H6Cl2OS and a molecular weight of 257.14 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)benzaldehyde.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)benzaldehyde
PubChem CID125491605
Molecular FormulaC11H6Cl2OS
Molecular Weight257.14 g/mol
Exact Mass255.95
IUPAC Name4-(2,5-dichlorothiophen-3-yl)benzaldehyde
SMILESO=Cc1ccc(-c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C11H6Cl2OS/c12-10-5-9(11(13)15-10)8-3-1-7(6-14)2-4-8/h1-6H
InChIKeyRWFMPYMQXAVLBN-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.14
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloro-5-fluorophenyl)benzaldehyde
CID 105395676
2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde
CID 130655979
4-[2,3-diamino-4-(4-formylphenyl)phenyl]benzaldehyde
CID 155775839
4-chloro-3-(4-hydroxyphenyl)benzaldehyde
CID 39231923
5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde
CID 146019858
3,5-bis(4-formylphenyl)benzaldehyde
CID 141451191
4-[4-tris[4-(4-formylphenyl)phenyl]germylphenyl]benzaldehyde
CID 154407147
4-(3-chloro-1-methyl-6-oxopyridazin-4-yl)benzaldehyde
CID 86704932
4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid
CID 57398512
4-(2-chloro-3-fluoro-4-pyridinyl)benzaldehyde
CID 164893122
4-[4,9,10-tris(4-formylphenyl)perylen-3-yl]benzaldehyde
CID 170691767
3-[(E)-2-carboxyethenyl]-5-(2,5-dichlorothiophen-3-yl)benzoic acid
CID 139761806

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)benzaldehyde?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)benzaldehyde (CID 125491605) is 4-(2,5-dichlorothiophen-3-yl)benzaldehyde.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)benzaldehyde?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)benzaldehyde is O=Cc1ccc(-c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)benzaldehyde?
The InChIKey is RWFMPYMQXAVLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2OS/c12-10-5-9(11(13)15-10)8-3-1-7(6-14)2-4-8/h1-6H.
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)benzaldehyde?
4-(2,5-dichlorothiophen-3-yl)benzaldehyde has a molecular weight of 257.14 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)benzaldehyde is sourced from PubChem (CID 125491605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).