2-methylthieno[3,2-b]thiophene-5-carboxylate

C8H5O2S2- — CID 6953386

IUPAC2-methylthieno[3,2-b]thiophene-5-carboxylate
SMILESCc1cc2sc(C(=O)[O-])cc2s1
InChIInChI=1S/C8H6O2S2/c1-4-2-5-6(11-4)3-7(12-5)8(9)10/h2-3H,1H3,(H,9,10)/p-1
InChIKeyVOCYXBFIICKEKG-UHFFFAOYSA-M
MW197.26 g/mol
LogP1.63
Rot. Bonds1

About 2-methylthieno[3,2-b]thiophene-5-carboxylate

2-methylthieno[3,2-b]thiophene-5-carboxylate (PubChem CID 6953386) has the molecular formula C8H5O2S2- and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-methylthieno[3,2-b]thiophene-5-carboxylate.

Molecular Properties

Compound Name2-methylthieno[3,2-b]thiophene-5-carboxylate
PubChem CID6953386
Molecular FormulaC8H5O2S2-
Molecular Weight197.26 g/mol
Exact Mass196.97
IUPAC Name2-methylthieno[3,2-b]thiophene-5-carboxylate
SMILESCc1cc2sc(C(=O)[O-])cc2s1
InChIInChI=1S/C8H6O2S2/c1-4-2-5-6(11-4)3-7(12-5)8(9)10/h2-3H,1H3,(H,9,10)/p-1
InChIKeyVOCYXBFIICKEKG-UHFFFAOYSA-M
XLogP1.63
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thieno(3,2-b)thiophene-2-carboxylic acid
CID 660319
2,2'-Bithiophene-5-carboxylic acid
CID 150965
Arctic acid
CID 182071
Dithieno[3,2-b:2',3'-d]thiophene-2,6-dicarboxylic acid
CID 68324914
Thieno[3,2-b]thiophene-2,5-dicarboxylic acid
CID 361864
5-Propylthiophene-2-carboxylic acid
CID 3164314
6-Hexyl-thieno[3,2-b]thiophene-2-carboxylic acid
CID 53258899
(2,2':5',2''-Terthiophene)-5-carboxylic acid
CID 159047
5-Butylthiophene-2-carboxylic acid
CID 12326223
5-Methylthieno(3,2-b)thiophene-2-carboxylic acid
CID 901435
3,5-Dimethylthieno[3,2-b]thiophene-2-carboxylic acid
CID 901441
Dimethyl [2,2'-bithiophene]-5,5'-dicarboxylate
CID 4072395

Frequently Asked Questions

What is the IUPAC name of 2-methylthieno[3,2-b]thiophene-5-carboxylate?
The IUPAC name of 2-methylthieno[3,2-b]thiophene-5-carboxylate (CID 6953386) is 2-methylthieno[3,2-b]thiophene-5-carboxylate.
What is the SMILES notation for 2-methylthieno[3,2-b]thiophene-5-carboxylate?
The canonical SMILES for 2-methylthieno[3,2-b]thiophene-5-carboxylate is Cc1cc2sc(C(=O)[O-])cc2s1.
What is the InChIKey of 2-methylthieno[3,2-b]thiophene-5-carboxylate?
The InChIKey is VOCYXBFIICKEKG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6O2S2/c1-4-2-5-6(11-4)3-7(12-5)8(9)10/h2-3H,1H3,(H,9,10)/p-1.
What are the key properties of 2-methylthieno[3,2-b]thiophene-5-carboxylate?
2-methylthieno[3,2-b]thiophene-5-carboxylate has a molecular weight of 197.26 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthieno[3,2-b]thiophene-5-carboxylate is sourced from PubChem (CID 6953386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).