ethyl thieno[3,2-b][1]benzothiole-2-carboxylate

C13H10O2S2 — CID 56691109

IUPACethyl thieno[3,2-b][1]benzothiole-2-carboxylate
SMILESCCOC(=O)c1cc2sc3ccccc3c2s1
InChIInChI=1S/C13H10O2S2/c1-2-15-13(14)11-7-10-12(17-11)8-5-3-4-6-9(8)16-10/h3-7H,2H2,1H3
InChIKeyCMBOQCNALLFTJZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.29
Rot. Bonds2

About ethyl thieno[3,2-b][1]benzothiole-2-carboxylate

ethyl thieno[3,2-b][1]benzothiole-2-carboxylate (PubChem CID 56691109) has the molecular formula C13H10O2S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is ethyl thieno[3,2-b][1]benzothiole-2-carboxylate.

Molecular Properties

Compound Nameethyl thieno[3,2-b][1]benzothiole-2-carboxylate
PubChem CID56691109
Molecular FormulaC13H10O2S2
Molecular Weight262.36 g/mol
Exact Mass262.01
IUPAC Nameethyl thieno[3,2-b][1]benzothiole-2-carboxylate
SMILESCCOC(=O)c1cc2sc3ccccc3c2s1
InChIInChI=1S/C13H10O2S2/c1-2-15-13(14)11-7-10-12(17-11)8-5-3-4-6-9(8)16-10/h3-7H,2H2,1H3
InChIKeyCMBOQCNALLFTJZ-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl thieno[3,2-b][1]benzothiole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11290764
diethyl thieno[3,2-e][1]benzothiole-2,7-dicarboxylate
CID 171984196
ethyl naphtho[1,2-g][1]benzothiole-2-carboxylate
CID 14770247
N-(2-amino-2-methylpropyl)thieno[3,2-b][1]benzothiole-2-carboxamide;hydrochloride
CID 119629088
(1-phenyltetrazol-5-yl)methyl thieno[3,2-b][1]benzothiole-2-carboxylate
CID 24501181
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] thieno[3,2-b][1]benzothiole-2-carboxylate
CID 55424773
ethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate
CID 10564172
(4-ethylpiperazin-1-yl)-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 1082719
diethyl 5-aminothiophene-2,4-dicarboxylate
CID 4082907
ethyl 3-amino-9-oxothioxanthene-2-carboxylate
CID 175165934
[2-[1-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] thieno[3,2-b][1]benzothiole-2-carboxylate
CID 55424839
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572

Frequently Asked Questions

What is the IUPAC name of ethyl thieno[3,2-b][1]benzothiole-2-carboxylate?
The IUPAC name of ethyl thieno[3,2-b][1]benzothiole-2-carboxylate (CID 56691109) is ethyl thieno[3,2-b][1]benzothiole-2-carboxylate.
What is the SMILES notation for ethyl thieno[3,2-b][1]benzothiole-2-carboxylate?
The canonical SMILES for ethyl thieno[3,2-b][1]benzothiole-2-carboxylate is CCOC(=O)c1cc2sc3ccccc3c2s1.
What is the InChIKey of ethyl thieno[3,2-b][1]benzothiole-2-carboxylate?
The InChIKey is CMBOQCNALLFTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2S2/c1-2-15-13(14)11-7-10-12(17-11)8-5-3-4-6-9(8)16-10/h3-7H,2H2,1H3.
What are the key properties of ethyl thieno[3,2-b][1]benzothiole-2-carboxylate?
ethyl thieno[3,2-b][1]benzothiole-2-carboxylate has a molecular weight of 262.36 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl thieno[3,2-b][1]benzothiole-2-carboxylate is sourced from PubChem (CID 56691109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).