(4-butylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone

C17H16OS2 — CID 80733768

IUPAC(4-butylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
SMILESCCCCc1ccc(C(=O)c2cc3sccc3s2)cc1
InChIInChI=1S/C17H16OS2/c1-2-3-4-12-5-7-13(8-6-12)17(18)16-11-15-14(20-16)9-10-19-15/h5-11H,2-4H2,1H3
InChIKeyWVMSLUNWGJSZHP-UHFFFAOYSA-N
MW300.45 g/mol
LogP5.54
Rot. Bonds5

About (4-butylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone

(4-butylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone (PubChem CID 80733768) has the molecular formula C17H16OS2 and a molecular weight of 300.45 g/mol. Its IUPAC name is (4-butylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone.

Molecular Properties

Compound Name(4-butylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
PubChem CID80733768
Molecular FormulaC17H16OS2
Molecular Weight300.45 g/mol
Exact Mass300.06
IUPAC Name(4-butylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
SMILESCCCCc1ccc(C(=O)c2cc3sccc3s2)cc1
InChIInChI=1S/C17H16OS2/c1-2-3-4-12-5-7-13(8-6-12)17(18)16-11-15-14(20-16)9-10-19-15/h5-11H,2-4H2,1H3
InChIKeyWVMSLUNWGJSZHP-UHFFFAOYSA-N
XLogP5.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 80734223
(4-butylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43462715
(4-butylphenyl)-(4-hydroxyphenyl)methanone
CID 22132679
(4,5-dibromothiophen-2-yl)-(4-propylphenyl)methanone
CID 80536800
(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 115791579
(2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 114972399
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone
CID 115782915
CID 69445910
CID 69445910
4-butylbenzoic acid;zinc
CID 175174767
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
(4-butylphenyl)-(2,6-dichlorophenyl)methanone
CID 43160097
(2-amino-1,3-thiazol-4-yl)-(4-butylphenyl)methanone
CID 94692761

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone?
The IUPAC name of (4-butylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone (CID 80733768) is (4-butylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone.
What is the SMILES notation for (4-butylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone?
The canonical SMILES for (4-butylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone is CCCCc1ccc(C(=O)c2cc3sccc3s2)cc1.
What is the InChIKey of (4-butylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone?
The InChIKey is WVMSLUNWGJSZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16OS2/c1-2-3-4-12-5-7-13(8-6-12)17(18)16-11-15-14(20-16)9-10-19-15/h5-11H,2-4H2,1H3.
What are the key properties of (4-butylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone?
(4-butylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone has a molecular weight of 300.45 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone is sourced from PubChem (CID 80733768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).