2-sulfanylidene-1H-pyridine-3-carbothioamide

C6H6N2S2 — CID 15631426

IUPAC2-sulfanylidene-1H-pyridine-3-carbothioamide
SMILESNC(=S)c1ccc[nH]c1=S
InChIInChI=1S/C6H6N2S2/c7-5(9)4-2-1-3-8-6(4)10/h1-3H,(H2,7,9)(H,8,10)
InChIKeyAZCGLRWAXYATNQ-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.38
Rot. Bonds1

About 2-sulfanylidene-1H-pyridine-3-carbothioamide

2-sulfanylidene-1H-pyridine-3-carbothioamide (PubChem CID 15631426) has the molecular formula C6H6N2S2 and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-sulfanylidene-1H-pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-sulfanylidene-1H-pyridine-3-carbothioamide
PubChem CID15631426
Molecular FormulaC6H6N2S2
Molecular Weight170.26 g/mol
Exact Mass170.00
IUPAC Name2-sulfanylidene-1H-pyridine-3-carbothioamide
SMILESNC(=S)c1ccc[nH]c1=S
InChIInChI=1S/C6H6N2S2/c7-5(9)4-2-1-3-8-6(4)10/h1-3H,(H2,7,9)(H,8,10)
InChIKeyAZCGLRWAXYATNQ-UHFFFAOYSA-N
XLogP1.38
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-sulfanylidene-1H-pyridine-3-carbothioamide?
The IUPAC name of 2-sulfanylidene-1H-pyridine-3-carbothioamide (CID 15631426) is 2-sulfanylidene-1H-pyridine-3-carbothioamide.
What is the SMILES notation for 2-sulfanylidene-1H-pyridine-3-carbothioamide?
The canonical SMILES for 2-sulfanylidene-1H-pyridine-3-carbothioamide is NC(=S)c1ccc[nH]c1=S.
What is the InChIKey of 2-sulfanylidene-1H-pyridine-3-carbothioamide?
The InChIKey is AZCGLRWAXYATNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S2/c7-5(9)4-2-1-3-8-6(4)10/h1-3H,(H2,7,9)(H,8,10).
What are the key properties of 2-sulfanylidene-1H-pyridine-3-carbothioamide?
2-sulfanylidene-1H-pyridine-3-carbothioamide has a molecular weight of 170.26 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-1H-pyridine-3-carbothioamide is sourced from PubChem (CID 15631426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).