pyridine-2,6-dicarbothioamide

C7H7N3S2 — CID 5161703

IUPACpyridine-2,6-dicarbothioamide
SMILESNC(=S)c1cccc(C(N)=S)n1
InChIInChI=1S/C7H7N3S2/c8-6(11)4-2-1-3-5(10-4)7(9)12/h1-3H,(H2,8,11)(H2,9,12)
InChIKeyGTGKXQDPPFSLQO-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.35
Rot. Bonds2

About pyridine-2,6-dicarbothioamide

pyridine-2,6-dicarbothioamide (PubChem CID 5161703) has the molecular formula C7H7N3S2 and a molecular weight of 197.29 g/mol. Its IUPAC name is pyridine-2,6-dicarbothioamide.

Molecular Properties

Compound Namepyridine-2,6-dicarbothioamide
PubChem CID5161703
Molecular FormulaC7H7N3S2
Molecular Weight197.29 g/mol
Exact Mass197.01
IUPAC Namepyridine-2,6-dicarbothioamide
SMILESNC(=S)c1cccc(C(N)=S)n1
InChIInChI=1S/C7H7N3S2/c8-6(11)4-2-1-3-5(10-4)7(9)12/h1-3H,(H2,8,11)(H2,9,12)
InChIKeyGTGKXQDPPFSLQO-UHFFFAOYSA-N
XLogP0.35
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.35
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 pyridine-2,6-dicarbothioamide?
The IUPAC name of pyridine-2,6-dicarbothioamide (CID 5161703) is pyridine-2,6-dicarbothioamide.
What is the SMILES notation for pyridine-2,6-dicarbothioamide?
The canonical SMILES for pyridine-2,6-dicarbothioamide is NC(=S)c1cccc(C(N)=S)n1.
What is the InChIKey of pyridine-2,6-dicarbothioamide?
The InChIKey is GTGKXQDPPFSLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S2/c8-6(11)4-2-1-3-5(10-4)7(9)12/h1-3H,(H2,8,11)(H2,9,12).
What are the key properties of pyridine-2,6-dicarbothioamide?
pyridine-2,6-dicarbothioamide has a molecular weight of 197.29 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2,6-dicarbothioamide is sourced from PubChem (CID 5161703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).