2-chloro-6-pyridin-2-ylsulfanylpyridine-4-carbothioamide

C11H8ClN3S2 — CID 2799916

IUPAC2-chloro-6-pyridin-2-ylsulfanylpyridine-4-carbothioamide
SMILESNC(=S)c1cc(Cl)nc(Sc2ccccn2)c1
InChIInChI=1S/C11H8ClN3S2/c12-8-5-7(11(13)16)6-10(15-8)17-9-3-1-2-4-14-9/h1-6H,(H2,13,16)
InChIKeyXYFNFPFTWKBIBB-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.92
Rot. Bonds3

About 2-chloro-6-pyridin-2-ylsulfanylpyridine-4-carbothioamide

2-chloro-6-pyridin-2-ylsulfanylpyridine-4-carbothioamide (PubChem CID 2799916) has the molecular formula C11H8ClN3S2 and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-chloro-6-pyridin-2-ylsulfanylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-chloro-6-pyridin-2-ylsulfanylpyridine-4-carbothioamide
PubChem CID2799916
Molecular FormulaC11H8ClN3S2
Molecular Weight281.79 g/mol
Exact Mass280.98
IUPAC Name2-chloro-6-pyridin-2-ylsulfanylpyridine-4-carbothioamide
SMILESNC(=S)c1cc(Cl)nc(Sc2ccccn2)c1
InChIInChI=1S/C11H8ClN3S2/c12-8-5-7(11(13)16)6-10(15-8)17-9-3-1-2-4-14-9/h1-6H,(H2,13,16)
InChIKeyXYFNFPFTWKBIBB-UHFFFAOYSA-N
XLogP2.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-methyl-6-pyridin-2-ylsulfanylpyrimidine
CID 62482152
6-chloro-2-pyridin-2-ylsulfanylpyridin-3-amine
CID 115474582
2-chloro-6-(pyridin-2-yldisulfanyl)pyridine
CID 91874893
[amino(pyridin-2-ylsulfanyl)methylidene]azanium chloride
CID 15311715
pyridine-2-carbothioamide;hydrochloride
CID 57440257
2-(pyridin-2-ylhexasulfanyl)pyridine
CID 87930543
6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 152655143
2-fluoro-6-pyridin-2-ylsulfanylpyridine
CID 61228221
4-methyl-2-pyridin-2-ylsulfanylpyridine
CID 91863117
2-[(4-bromophenyl)methylsulfanyl]pyridine-4-carbothioamide
CID 3002199
N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80883368
2-hydroxysulfanylpyridine
CID 12046445

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-pyridin-2-ylsulfanylpyridine-4-carbothioamide?
The IUPAC name of 2-chloro-6-pyridin-2-ylsulfanylpyridine-4-carbothioamide (CID 2799916) is 2-chloro-6-pyridin-2-ylsulfanylpyridine-4-carbothioamide.
What is the SMILES notation for 2-chloro-6-pyridin-2-ylsulfanylpyridine-4-carbothioamide?
The canonical SMILES for 2-chloro-6-pyridin-2-ylsulfanylpyridine-4-carbothioamide is NC(=S)c1cc(Cl)nc(Sc2ccccn2)c1.
What is the InChIKey of 2-chloro-6-pyridin-2-ylsulfanylpyridine-4-carbothioamide?
The InChIKey is XYFNFPFTWKBIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3S2/c12-8-5-7(11(13)16)6-10(15-8)17-9-3-1-2-4-14-9/h1-6H,(H2,13,16).
What are the key properties of 2-chloro-6-pyridin-2-ylsulfanylpyridine-4-carbothioamide?
2-chloro-6-pyridin-2-ylsulfanylpyridine-4-carbothioamide has a molecular weight of 281.79 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-pyridin-2-ylsulfanylpyridine-4-carbothioamide is sourced from PubChem (CID 2799916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).