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

C12H8ClNOS2 — CID 2739660

IUPAC8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESNC(=O)c1cc2c(s1)-c1cc(Cl)ccc1SC2
InChIInChI=1S/C12H8ClNOS2/c13-7-1-2-9-8(4-7)11-6(5-16-9)3-10(17-11)12(14)15/h1-4H,5H2,(H2,14,15)
InChIKeyRNXSCPPGHZOXFA-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.77
Rot. Bonds1

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

8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 2739660) has the molecular formula C12H8ClNOS2 and a molecular weight of 281.79 g/mol. Its IUPAC name is 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound Name8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID2739660
Molecular FormulaC12H8ClNOS2
Molecular Weight281.79 g/mol
Exact Mass280.97
IUPAC Name8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESNC(=O)c1cc2c(s1)-c1cc(Cl)ccc1SC2
InChIInChI=1S/C12H8ClNOS2/c13-7-1-2-9-8(4-7)11-6(5-16-9)3-10(17-11)12(14)15/h1-4H,5H2,(H2,14,15)
InChIKeyRNXSCPPGHZOXFA-UHFFFAOYSA-N
XLogP3.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxamide 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 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 2739660) is 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxamide is NC(=O)c1cc2c(s1)-c1cc(Cl)ccc1SC2.
What is the InChIKey of 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is RNXSCPPGHZOXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNOS2/c13-7-1-2-9-8(4-7)11-6(5-16-9)3-10(17-11)12(14)15/h1-4H,5H2,(H2,14,15).
What are the key properties of 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxamide?
8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 2739660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).