4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide

C8H6N2S3 — CID 22343014

IUPAC4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide
SMILESNC(=S)c1c[nH]c2sccc2c1=S
InChIInChI=1S/C8H6N2S3/c9-7(12)5-3-10-8-4(6(5)11)1-2-13-8/h1-3H,(H2,9,12)(H,10,11)
InChIKeyZAJXJJOFMTYPQH-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.59
Rot. Bonds1

About 4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide

4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide (PubChem CID 22343014) has the molecular formula C8H6N2S3 and a molecular weight of 226.35 g/mol. Its IUPAC name is 4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide.

Molecular Properties

Compound Name4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide
PubChem CID22343014
Molecular FormulaC8H6N2S3
Molecular Weight226.35 g/mol
Exact Mass225.97
IUPAC Name4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide
SMILESNC(=S)c1c[nH]c2sccc2c1=S
InChIInChI=1S/C8H6N2S3/c9-7(12)5-3-10-8-4(6(5)11)1-2-13-8/h1-3H,(H2,9,12)(H,10,11)
InChIKeyZAJXJJOFMTYPQH-UHFFFAOYSA-N
XLogP2.59
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide?
The IUPAC name of 4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide (CID 22343014) is 4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide.
What is the SMILES notation for 4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide?
The canonical SMILES for 4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide is NC(=S)c1c[nH]c2sccc2c1=S.
What is the InChIKey of 4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide?
The InChIKey is ZAJXJJOFMTYPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S3/c9-7(12)5-3-10-8-4(6(5)11)1-2-13-8/h1-3H,(H2,9,12)(H,10,11).
What are the key properties of 4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide?
4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide has a molecular weight of 226.35 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide is sourced from PubChem (CID 22343014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).