1-[5-acetyl-4-(4-chlorophenyl)thieno[2,3-b]thiophen-2-yl]ethanone

C16H11ClO2S2 — CID 15741578

IUPAC1-[5-acetyl-4-(4-chlorophenyl)thieno[2,3-b]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc2c(-c3ccc(Cl)cc3)c(C(C)=O)sc2s1
InChIInChI=1S/C16H11ClO2S2/c1-8(18)13-7-12-14(10-3-5-11(17)6-4-10)15(9(2)19)21-16(12)20-13/h3-7H,1-2H3
InChIKeyQNXJYRCMQFOCGO-UHFFFAOYSA-N
MW334.85 g/mol
LogP5.69
Rot. Bonds3

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

1-[5-acetyl-4-(4-chlorophenyl)thieno[2,3-b]thiophen-2-yl]ethanone (PubChem CID 15741578) has the molecular formula C16H11ClO2S2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-[5-acetyl-4-(4-chlorophenyl)thieno[2,3-b]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-acetyl-4-(4-chlorophenyl)thieno[2,3-b]thiophen-2-yl]ethanone
PubChem CID15741578
Molecular FormulaC16H11ClO2S2
Molecular Weight334.85 g/mol
Exact Mass333.99
IUPAC Name1-[5-acetyl-4-(4-chlorophenyl)thieno[2,3-b]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc2c(-c3ccc(Cl)cc3)c(C(C)=O)sc2s1
InChIInChI=1S/C16H11ClO2S2/c1-8(18)13-7-12-14(10-3-5-11(17)6-4-10)15(9(2)19)21-16(12)20-13/h3-7H,1-2H3
InChIKeyQNXJYRCMQFOCGO-UHFFFAOYSA-N
XLogP5.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.85
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-acetyl-4-(4-chlorophenyl)thieno[2,3-b]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-acetyl-4-(4-chlorophenyl)thieno[2,3-b]thiophen-2-yl]ethanone (CID 15741578) is 1-[5-acetyl-4-(4-chlorophenyl)thieno[2,3-b]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-acetyl-4-(4-chlorophenyl)thieno[2,3-b]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-acetyl-4-(4-chlorophenyl)thieno[2,3-b]thiophen-2-yl]ethanone is CC(=O)c1cc2c(-c3ccc(Cl)cc3)c(C(C)=O)sc2s1.
What is the InChIKey of 1-[5-acetyl-4-(4-chlorophenyl)thieno[2,3-b]thiophen-2-yl]ethanone?
The InChIKey is QNXJYRCMQFOCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2S2/c1-8(18)13-7-12-14(10-3-5-11(17)6-4-10)15(9(2)19)21-16(12)20-13/h3-7H,1-2H3.
What are the key properties of 1-[5-acetyl-4-(4-chlorophenyl)thieno[2,3-b]thiophen-2-yl]ethanone?
1-[5-acetyl-4-(4-chlorophenyl)thieno[2,3-b]thiophen-2-yl]ethanone has a molecular weight of 334.85 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-acetyl-4-(4-chlorophenyl)thieno[2,3-b]thiophen-2-yl]ethanone is sourced from PubChem (CID 15741578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).