(E)-pyridin-2-yliminothiourea

C6H6N4S — CID 177497182

IUPAC(E)-pyridin-2-yliminothiourea
SMILESNC(=S)/N=N/c1ccccn1
InChIInChI=1S/C6H6N4S/c7-6(11)10-9-5-3-1-2-4-8-5/h1-4H,(H2,7,11)/b10-9+
InChIKeyYOZDDVZOYXWAHY-MDZDMXLPSA-N
MW166.21 g/mol
LogP1.41
Rot. Bonds1

About (E)-pyridin-2-yliminothiourea

(E)-pyridin-2-yliminothiourea (PubChem CID 177497182) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is (E)-pyridin-2-yliminothiourea.

Molecular Properties

Compound Name(E)-pyridin-2-yliminothiourea
PubChem CID177497182
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name(E)-pyridin-2-yliminothiourea
SMILESNC(=S)/N=N/c1ccccn1
InChIInChI=1S/C6H6N4S/c7-6(11)10-9-5-3-1-2-4-8-5/h1-4H,(H2,7,11)/b10-9+
InChIKeyYOZDDVZOYXWAHY-MDZDMXLPSA-N
XLogP1.41
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

dipyridin-2-yldiazene;osmium
CID 173074203
ethyl (NZ)-N-pyridin-2-yliminocarbamate
CID 10773684
CID 173409418
CID 173409418
N'-amino-N-pyridin-2-yliminomethanimidamide
CID 164575530
propan-2-yl(pyridin-2-yl)diazene
CID 123501557
(2,6-dichlorophenyl)-pyridin-2-yldiazene
CID 102225413
pyridine-2-carbothioamide;hydrochloride
CID 57440257
2-[(pyridin-2-yldiazenyl)methyl]phenol
CID 54462661
ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol
CID 136657550
2,2-dipyridin-2-ylethanethioamide
CID 3035355
pyridin-2-ylthiourea
CID 1490491
1,2-diphenyl-N,N'-dipyridin-2-ylethane-1,2-diimine
CID 133053647

Frequently Asked Questions

What is the IUPAC name of (E)-pyridin-2-yliminothiourea?
The IUPAC name of (E)-pyridin-2-yliminothiourea (CID 177497182) is (E)-pyridin-2-yliminothiourea.
What is the SMILES notation for (E)-pyridin-2-yliminothiourea?
The canonical SMILES for (E)-pyridin-2-yliminothiourea is NC(=S)/N=N/c1ccccn1.
What is the InChIKey of (E)-pyridin-2-yliminothiourea?
The InChIKey is YOZDDVZOYXWAHY-MDZDMXLPSA-N. The full InChI is InChI=1S/C6H6N4S/c7-6(11)10-9-5-3-1-2-4-8-5/h1-4H,(H2,7,11)/b10-9+.
What are the key properties of (E)-pyridin-2-yliminothiourea?
(E)-pyridin-2-yliminothiourea has a molecular weight of 166.21 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-pyridin-2-yliminothiourea is sourced from PubChem (CID 177497182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).