2-pyridin-2-ylethanethioamide;hydrochloride

C7H9ClN2S — CID 3035162

IUPAC2-pyridin-2-ylethanethioamide;hydrochloride
SMILESCl.NC(=S)Cc1ccccn1
InChIInChI=1S/C7H8N2S.ClH/c8-7(10)5-6-3-1-2-4-9-6;/h1-4H,5H2,(H2,8,10);1H
InChIKeyNVUGKLNAYJKCMZ-UHFFFAOYSA-N
MW188.68 g/mol
LogP1.33
Rot. Bonds2

About 2-pyridin-2-ylethanethioamide;hydrochloride

2-pyridin-2-ylethanethioamide;hydrochloride (PubChem CID 3035162) has the molecular formula C7H9ClN2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 2-pyridin-2-ylethanethioamide;hydrochloride.

Molecular Properties

Compound Name2-pyridin-2-ylethanethioamide;hydrochloride
PubChem CID3035162
Molecular FormulaC7H9ClN2S
Molecular Weight188.68 g/mol
Exact Mass188.02
IUPAC Name2-pyridin-2-ylethanethioamide;hydrochloride
SMILESCl.NC(=S)Cc1ccccn1
InChIInChI=1S/C7H8N2S.ClH/c8-7(10)5-6-3-1-2-4-9-6;/h1-4H,5H2,(H2,8,10);1H
InChIKeyNVUGKLNAYJKCMZ-UHFFFAOYSA-N
XLogP1.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 51.33
H-Bond Donors ≤ 51
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-pyridin-2-ylethanethioamide;hydrochloride?
The IUPAC name of 2-pyridin-2-ylethanethioamide;hydrochloride (CID 3035162) is 2-pyridin-2-ylethanethioamide;hydrochloride.
What is the SMILES notation for 2-pyridin-2-ylethanethioamide;hydrochloride?
The canonical SMILES for 2-pyridin-2-ylethanethioamide;hydrochloride is Cl.NC(=S)Cc1ccccn1.
What is the InChIKey of 2-pyridin-2-ylethanethioamide;hydrochloride?
The InChIKey is NVUGKLNAYJKCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S.ClH/c8-7(10)5-6-3-1-2-4-9-6;/h1-4H,5H2,(H2,8,10);1H.
What are the key properties of 2-pyridin-2-ylethanethioamide;hydrochloride?
2-pyridin-2-ylethanethioamide;hydrochloride has a molecular weight of 188.68 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylethanethioamide;hydrochloride is sourced from PubChem (CID 3035162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).