methyl thieno[3,2-b]thiophene-5-carboxylate

C8H6O2S2 — CID 2739788

IUPACmethyl thieno[3,2-b]thiophene-5-carboxylate
SMILESCOC(=O)c1cc2sccc2s1
InChIInChI=1S/C8H6O2S2/c1-10-8(9)7-4-6-5(12-7)2-3-11-6/h2-4H,1H3
InChIKeyVCLNJFSCOKHCEJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.75
Rot. Bonds1

About methyl thieno[3,2-b]thiophene-5-carboxylate

methyl thieno[3,2-b]thiophene-5-carboxylate (PubChem CID 2739788) has the molecular formula C8H6O2S2 and a molecular weight of 198.27 g/mol. Its IUPAC name is methyl thieno[3,2-b]thiophene-5-carboxylate.

Molecular Properties

Compound Namemethyl thieno[3,2-b]thiophene-5-carboxylate
PubChem CID2739788
Molecular FormulaC8H6O2S2
Molecular Weight198.27 g/mol
Exact Mass197.98
IUPAC Namemethyl thieno[3,2-b]thiophene-5-carboxylate
SMILESCOC(=O)c1cc2sccc2s1
InChIInChI=1S/C8H6O2S2/c1-10-8(9)7-4-6-5(12-7)2-3-11-6/h2-4H,1H3
InChIKeyVCLNJFSCOKHCEJ-UHFFFAOYSA-N
XLogP2.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl thieno[3,2-b]thiophene-5-carboxylate?
The IUPAC name of methyl thieno[3,2-b]thiophene-5-carboxylate (CID 2739788) is methyl thieno[3,2-b]thiophene-5-carboxylate.
What is the SMILES notation for methyl thieno[3,2-b]thiophene-5-carboxylate?
The canonical SMILES for methyl thieno[3,2-b]thiophene-5-carboxylate is COC(=O)c1cc2sccc2s1.
What is the InChIKey of methyl thieno[3,2-b]thiophene-5-carboxylate?
The InChIKey is VCLNJFSCOKHCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2S2/c1-10-8(9)7-4-6-5(12-7)2-3-11-6/h2-4H,1H3.
What are the key properties of methyl thieno[3,2-b]thiophene-5-carboxylate?
methyl thieno[3,2-b]thiophene-5-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl thieno[3,2-b]thiophene-5-carboxylate is sourced from PubChem (CID 2739788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).