pyridine-2-carbothioamide;hydrochloride

C6H7ClN2S — CID 57440257

IUPACpyridine-2-carbothioamide;hydrochloride
SMILESCl.NC(=S)c1ccccn1
InChIInChI=1S/C6H6N2S.ClH/c7-6(9)5-3-1-2-4-8-5;/h1-4H,(H2,7,9);1H
InChIKeyBJMNJABFCIZZNB-UHFFFAOYSA-N
MW174.66 g/mol
LogP1.14
Rot. Bonds1

About pyridine-2-carbothioamide;hydrochloride

pyridine-2-carbothioamide;hydrochloride (PubChem CID 57440257) has the molecular formula C6H7ClN2S and a molecular weight of 174.66 g/mol. Its IUPAC name is pyridine-2-carbothioamide;hydrochloride.

Molecular Properties

Compound Namepyridine-2-carbothioamide;hydrochloride
PubChem CID57440257
Molecular FormulaC6H7ClN2S
Molecular Weight174.66 g/mol
Exact Mass174.00
IUPAC Namepyridine-2-carbothioamide;hydrochloride
SMILESCl.NC(=S)c1ccccn1
InChIInChI=1S/C6H6N2S.ClH/c7-6(9)5-3-1-2-4-8-5;/h1-4H,(H2,7,9);1H
InChIKeyBJMNJABFCIZZNB-UHFFFAOYSA-N
XLogP1.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.66
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-pyridin-2-ylpyridine-2-carbothioamide
CID 3034633
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide
CID 20842770
1-pyridin-2-ylethanethione
CID 89010255
(1Z,3Z)-1,4-dipyridin-2-ylbuta-1,3-diene-1,4-diamine
CID 145275038
N'-aminopyridine-2-carboximidamide
CID 5464234
(E)-amino-carbamothioyl-(1-pyridin-2-ylethylidene)azanium
CID 20835095
N-(2-carbamothioylphenyl)pyridine-2-carboxamide
CID 24701542
6-pyrimidin-2-ylpyridine-2-carbothioamide
CID 87690420
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
ethane;molecular hydrogen;pyridine-2-carboxamide
CID 145071770

Frequently Asked Questions

What is the IUPAC name of pyridine-2-carbothioamide;hydrochloride?
The IUPAC name of pyridine-2-carbothioamide;hydrochloride (CID 57440257) is pyridine-2-carbothioamide;hydrochloride.
What is the SMILES notation for pyridine-2-carbothioamide;hydrochloride?
The canonical SMILES for pyridine-2-carbothioamide;hydrochloride is Cl.NC(=S)c1ccccn1.
What is the InChIKey of pyridine-2-carbothioamide;hydrochloride?
The InChIKey is BJMNJABFCIZZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S.ClH/c7-6(9)5-3-1-2-4-8-5;/h1-4H,(H2,7,9);1H.
What are the key properties of pyridine-2-carbothioamide;hydrochloride?
pyridine-2-carbothioamide;hydrochloride has a molecular weight of 174.66 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2-carbothioamide;hydrochloride is sourced from PubChem (CID 57440257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).