2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone

C14H9ClOS2 — CID 80745581

IUPAC2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1cc2sccc2s1
InChIInChI=1S/C14H9ClOS2/c15-10-3-1-9(2-4-10)7-11(16)13-8-14-12(18-13)5-6-17-14/h1-6,8H,7H2
InChIKeyZKYBITAZDCNKST-UHFFFAOYSA-N
MW292.81 g/mol
LogP5.04
Rot. Bonds3

About 2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone

2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone (PubChem CID 80745581) has the molecular formula C14H9ClOS2 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
PubChem CID80745581
Molecular FormulaC14H9ClOS2
Molecular Weight292.81 g/mol
Exact Mass291.98
IUPAC Name2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1cc2sccc2s1
InChIInChI=1S/C14H9ClOS2/c15-10-3-1-9(2-4-10)7-11(16)13-8-14-12(18-13)5-6-17-14/h1-6,8H,7H2
InChIKeyZKYBITAZDCNKST-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.81
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 80738432
2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114964004
2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114967032
2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80738942
2-(4-chlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
CID 81104798
2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745674
2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745092
1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone
CID 102826685
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone
CID 115782915
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
2-(2-methyltetrazol-5-yl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 107063268
2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114981752

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone (CID 80745581) is 2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone is O=C(Cc1ccc(Cl)cc1)c1cc2sccc2s1.
What is the InChIKey of 2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The InChIKey is ZKYBITAZDCNKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClOS2/c15-10-3-1-9(2-4-10)7-11(16)13-8-14-12(18-13)5-6-17-14/h1-6,8H,7H2.
What are the key properties of 2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone has a molecular weight of 292.81 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone is sourced from PubChem (CID 80745581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).