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

C13H10O2S2 — CID 137369706

IUPAC8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid
SMILESCc1ccc2c(c1)-c1sc(C(=O)O)cc1CS2
InChIInChI=1S/C13H10O2S2/c1-7-2-3-10-9(4-7)12-8(6-16-10)5-11(17-12)13(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKeyRLRBKZCWLPQRKL-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.03
Rot. Bonds1

About 8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid

8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid (PubChem CID 137369706) has the molecular formula C13H10O2S2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid.

Molecular Properties

Compound Name8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid
PubChem CID137369706
Molecular FormulaC13H10O2S2
Molecular Weight262.35 g/mol
Exact Mass262.01
IUPAC Name8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid
SMILESCc1ccc2c(c1)-c1sc(C(=O)O)cc1CS2
InChIInChI=1S/C13H10O2S2/c1-7-2-3-10-9(4-7)12-8(6-16-10)5-11(17-12)13(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKeyRLRBKZCWLPQRKL-UHFFFAOYSA-N
XLogP4.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid?
The IUPAC name of 8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid (CID 137369706) is 8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid.
What is the SMILES notation for 8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid?
The canonical SMILES for 8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid is Cc1ccc2c(c1)-c1sc(C(=O)O)cc1CS2.
What is the InChIKey of 8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid?
The InChIKey is RLRBKZCWLPQRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2S2/c1-7-2-3-10-9(4-7)12-8(6-16-10)5-11(17-12)13(14)15/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid?
8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxylic acid is sourced from PubChem (CID 137369706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).