4-(6-chloropyrazin-2-yl)sulfanylthiophene-2-carboxylic acid

C9H5ClN2O2S2 — CID 114335555

IUPAC4-(6-chloropyrazin-2-yl)sulfanylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Sc2cncc(Cl)n2)cs1
InChIInChI=1S/C9H5ClN2O2S2/c10-7-2-11-3-8(12-7)16-5-1-6(9(13)14)15-4-5/h1-4H,(H,13,14)
InChIKeyKKBLFZSDOSWGCN-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.04
Rot. Bonds3

About 4-(6-chloropyrazin-2-yl)sulfanylthiophene-2-carboxylic acid

4-(6-chloropyrazin-2-yl)sulfanylthiophene-2-carboxylic acid (PubChem CID 114335555) has the molecular formula C9H5ClN2O2S2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-(6-chloropyrazin-2-yl)sulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-chloropyrazin-2-yl)sulfanylthiophene-2-carboxylic acid
PubChem CID114335555
Molecular FormulaC9H5ClN2O2S2
Molecular Weight272.74 g/mol
Exact Mass271.95
IUPAC Name4-(6-chloropyrazin-2-yl)sulfanylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Sc2cncc(Cl)n2)cs1
InChIInChI=1S/C9H5ClN2O2S2/c10-7-2-11-3-8(12-7)16-5-1-6(9(13)14)15-4-5/h1-4H,(H,13,14)
InChIKeyKKBLFZSDOSWGCN-UHFFFAOYSA-N
XLogP3.04
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chloropyrazin-2-yl)sulfanylbenzoic acid
CID 114335533
4-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid
CID 79728634
4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)sulfanyl]thiophene-2-carboxylic acid
CID 114574123
4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid
CID 79140538
N-[4-(6-chloropyrazin-2-yl)sulfanylphenyl]acetamide
CID 43213387
4-(5-iodopyrimidin-2-yl)sulfanylthiophene-2-carboxylic acid
CID 116648319
4-[(6-chloro-3-pyridinyl)methylsulfanyl]thiophene-2-carboxylic acid
CID 79150086
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]thiophene-2-carboxylic acid
CID 79140540
2-(6-chloropyrazin-2-yl)sulfanylbenzoic acid
CID 114335537
4-(6-ethylpyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid
CID 79140164
4-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]thiophene-2-carboxylic acid
CID 79139184
4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)sulfanyl]thiophene-2-carboxylic acid
CID 114574122

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyrazin-2-yl)sulfanylthiophene-2-carboxylic acid?
The IUPAC name of 4-(6-chloropyrazin-2-yl)sulfanylthiophene-2-carboxylic acid (CID 114335555) is 4-(6-chloropyrazin-2-yl)sulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(6-chloropyrazin-2-yl)sulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(6-chloropyrazin-2-yl)sulfanylthiophene-2-carboxylic acid is O=C(O)c1cc(Sc2cncc(Cl)n2)cs1.
What is the InChIKey of 4-(6-chloropyrazin-2-yl)sulfanylthiophene-2-carboxylic acid?
The InChIKey is KKBLFZSDOSWGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O2S2/c10-7-2-11-3-8(12-7)16-5-1-6(9(13)14)15-4-5/h1-4H,(H,13,14).
What are the key properties of 4-(6-chloropyrazin-2-yl)sulfanylthiophene-2-carboxylic acid?
4-(6-chloropyrazin-2-yl)sulfanylthiophene-2-carboxylic acid has a molecular weight of 272.74 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyrazin-2-yl)sulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 114335555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).