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

C13H11NOS2 — CID 137369719

IUPAC8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCc1ccc2c(c1)-c1sc(C(N)=O)cc1CS2
InChIInChI=1S/C13H11NOS2/c1-7-2-3-10-9(4-7)12-8(6-16-10)5-11(17-12)13(14)15/h2-5H,6H2,1H3,(H2,14,15)
InChIKeyQJDVAVMWXSANQF-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.43
Rot. Bonds1

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

8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 137369719) has the molecular formula C13H11NOS2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound Name8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID137369719
Molecular FormulaC13H11NOS2
Molecular Weight261.37 g/mol
Exact Mass261.03
IUPAC Name8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESCc1ccc2c(c1)-c1sc(C(N)=O)cc1CS2
InChIInChI=1S/C13H11NOS2/c1-7-2-3-10-9(4-7)12-8(6-16-10)5-11(17-12)13(14)15/h2-5H,6H2,1H3,(H2,14,15)
InChIKeyQJDVAVMWXSANQF-UHFFFAOYSA-N
XLogP3.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.43
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-carboxamide?
The IUPAC name of 8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 137369719) is 8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for 8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for 8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide is Cc1ccc2c(c1)-c1sc(C(N)=O)cc1CS2.
What is the InChIKey of 8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is QJDVAVMWXSANQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS2/c1-7-2-3-10-9(4-7)12-8(6-16-10)5-11(17-12)13(14)15/h2-5H,6H2,1H3,(H2,14,15).
What are the key properties of 8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide?
8-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 3.43, 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-carboxamide is sourced from PubChem (CID 137369719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).