3-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)prop-2-enoic acid

C11H10O2S2 — CID 2778913

IUPAC3-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)prop-2-enoic acid
SMILESCc1csc2sc(C=CC(=O)O)c(C)c12
InChIInChI=1S/C11H10O2S2/c1-6-5-14-11-10(6)7(2)8(15-11)3-4-9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyWXHZXFSXZUISRX-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.68
Rot. Bonds2

About 3-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)prop-2-enoic acid

3-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)prop-2-enoic acid (PubChem CID 2778913) has the molecular formula C11H10O2S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)prop-2-enoic acid
PubChem CID2778913
Molecular FormulaC11H10O2S2
Molecular Weight238.33 g/mol
Exact Mass238.01
IUPAC Name3-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)prop-2-enoic acid
SMILESCc1csc2sc(C=CC(=O)O)c(C)c12
InChIInChI=1S/C11H10O2S2/c1-6-5-14-11-10(6)7(2)8(15-11)3-4-9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyWXHZXFSXZUISRX-UHFFFAOYSA-N
XLogP3.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2,2-dimethylpropan-1-one
CID 169026571
3-(6-bromo-3-methyl-1-benzothiophen-2-yl)prop-2-enoic acid
CID 69130851
(E)-3-(5-tert-butyl-3-methyl-1-benzothiophen-2-yl)prop-2-enoic acid
CID 84743269
3-[5-[ethyl(methyl)carbamoyl]-3-methylthiophen-2-yl]prop-2-enoic acid
CID 79997164
(E)-3-(2-hydroxy-3,4,5,6-tetramethylphenyl)prop-2-enoic acid
CID 59881577
3-[5-[(2-amino-2-oxoethyl)carbamoyl]-3-methylthiophen-2-yl]prop-2-enoic acid
CID 79996300
(E)-3-(3-formylthiophen-2-yl)prop-2-enoic acid
CID 90072955
(E)-3-(4-chloro-2-methoxy-1,3-thiazol-5-yl)prop-2-enoic acid
CID 130580216
3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-enoic acid
CID 169461177
(E)-3-[3-methyl-5-(3-methylpentan-3-ylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 106331166
(E)-3-(3-fluoro-2,6-dimethylphenyl)prop-2-enoic acid
CID 119015106
(E)-3-(1,4-dimethylpyrazol-5-yl)prop-2-enoic acid
CID 130527511

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)prop-2-enoic acid?
The IUPAC name of 3-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)prop-2-enoic acid (CID 2778913) is 3-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)prop-2-enoic acid?
The canonical SMILES for 3-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)prop-2-enoic acid is Cc1csc2sc(C=CC(=O)O)c(C)c12.
What is the InChIKey of 3-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)prop-2-enoic acid?
The InChIKey is WXHZXFSXZUISRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S2/c1-6-5-14-11-10(6)7(2)8(15-11)3-4-9(12)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of 3-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)prop-2-enoic acid?
3-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)prop-2-enoic acid has a molecular weight of 238.33 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)prop-2-enoic acid is sourced from PubChem (CID 2778913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).