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

C10H10O2S2 — CID 123389204

IUPACethyl 2-methylthieno[3,2-b]thiophene-5-carboxylate
SMILESCCOC(=O)c1cc2sc(C)cc2s1
InChIInChI=1S/C10H10O2S2/c1-3-12-10(11)9-5-8-7(14-9)4-6(2)13-8/h4-5H,3H2,1-2H3
InChIKeyCMDOJZXLQXBAJM-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.45
Rot. Bonds2

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

ethyl 2-methylthieno[3,2-b]thiophene-5-carboxylate (PubChem CID 123389204) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is ethyl 2-methylthieno[3,2-b]thiophene-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylthieno[3,2-b]thiophene-5-carboxylate
PubChem CID123389204
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Nameethyl 2-methylthieno[3,2-b]thiophene-5-carboxylate
SMILESCCOC(=O)c1cc2sc(C)cc2s1
InChIInChI=1S/C10H10O2S2/c1-3-12-10(11)9-5-8-7(14-9)4-6(2)13-8/h4-5H,3H2,1-2H3
InChIKeyCMDOJZXLQXBAJM-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylthieno[3,2-b]thiophene-5-carboxylate?
The IUPAC name of ethyl 2-methylthieno[3,2-b]thiophene-5-carboxylate (CID 123389204) is ethyl 2-methylthieno[3,2-b]thiophene-5-carboxylate.
What is the SMILES notation for ethyl 2-methylthieno[3,2-b]thiophene-5-carboxylate?
The canonical SMILES for ethyl 2-methylthieno[3,2-b]thiophene-5-carboxylate is CCOC(=O)c1cc2sc(C)cc2s1.
What is the InChIKey of ethyl 2-methylthieno[3,2-b]thiophene-5-carboxylate?
The InChIKey is CMDOJZXLQXBAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c1-3-12-10(11)9-5-8-7(14-9)4-6(2)13-8/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-methylthieno[3,2-b]thiophene-5-carboxylate?
ethyl 2-methylthieno[3,2-b]thiophene-5-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylthieno[3,2-b]thiophene-5-carboxylate is sourced from PubChem (CID 123389204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).