4H-thieno[3,2-c]thiochromene-2-carboxylic acid

C12H8O2S2 — CID 43120174

IUPAC4H-thieno[3,2-c]thiochromene-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)-c1ccccc1SC2
InChIInChI=1S/C12H8O2S2/c13-12(14)10-5-7-6-15-9-4-2-1-3-8(9)11(7)16-10/h1-5H,6H2,(H,13,14)
InChIKeyDSLNPJCJIWZKMV-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.72
Rot. Bonds1

About 4H-thieno[3,2-c]thiochromene-2-carboxylic acid

4H-thieno[3,2-c]thiochromene-2-carboxylic acid (PubChem CID 43120174) has the molecular formula C12H8O2S2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4H-thieno[3,2-c]thiochromene-2-carboxylic acid.

Molecular Properties

Compound Name4H-thieno[3,2-c]thiochromene-2-carboxylic acid
PubChem CID43120174
Molecular FormulaC12H8O2S2
Molecular Weight248.33 g/mol
Exact Mass248.00
IUPAC Name4H-thieno[3,2-c]thiochromene-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)-c1ccccc1SC2
InChIInChI=1S/C12H8O2S2/c13-12(14)10-5-7-6-15-9-4-2-1-3-8(9)11(7)16-10/h1-5H,6H2,(H,13,14)
InChIKeyDSLNPJCJIWZKMV-UHFFFAOYSA-N
XLogP3.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4H-thieno[3,2-c]thiochromene-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4H-thieno[3,2-c]thiochromene-2-carboxylic acid?
The IUPAC name of 4H-thieno[3,2-c]thiochromene-2-carboxylic acid (CID 43120174) is 4H-thieno[3,2-c]thiochromene-2-carboxylic acid.
What is the SMILES notation for 4H-thieno[3,2-c]thiochromene-2-carboxylic acid?
The canonical SMILES for 4H-thieno[3,2-c]thiochromene-2-carboxylic acid is O=C(O)c1cc2c(s1)-c1ccccc1SC2.
What is the InChIKey of 4H-thieno[3,2-c]thiochromene-2-carboxylic acid?
The InChIKey is DSLNPJCJIWZKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2S2/c13-12(14)10-5-7-6-15-9-4-2-1-3-8(9)11(7)16-10/h1-5H,6H2,(H,13,14).
What are the key properties of 4H-thieno[3,2-c]thiochromene-2-carboxylic acid?
4H-thieno[3,2-c]thiochromene-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-thieno[3,2-c]thiochromene-2-carboxylic acid is sourced from PubChem (CID 43120174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).