2-ethylpyridine-4-carbothioamide;hydrochloride

C8H11ClN2S — CID 3036240

IUPAC2-ethylpyridine-4-carbothioamide;hydrochloride
SMILESCCc1cc(C(N)=S)ccn1.Cl
InChIInChI=1S/C8H10N2S.ClH/c1-2-7-5-6(8(9)11)3-4-10-7;/h3-5H,2H2,1H3,(H2,9,11);1H
InChIKeyYNKSYHUKAKUZAR-UHFFFAOYSA-N
MW202.71 g/mol
LogP1.70
Rot. Bonds2

About 2-ethylpyridine-4-carbothioamide;hydrochloride

2-ethylpyridine-4-carbothioamide;hydrochloride (PubChem CID 3036240) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is 2-ethylpyridine-4-carbothioamide;hydrochloride.

Molecular Properties

Compound Name2-ethylpyridine-4-carbothioamide;hydrochloride
PubChem CID3036240
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name2-ethylpyridine-4-carbothioamide;hydrochloride
SMILESCCc1cc(C(N)=S)ccn1.Cl
InChIInChI=1S/C8H10N2S.ClH/c1-2-7-5-6(8(9)11)3-4-10-7;/h3-5H,2H2,1H3,(H2,9,11);1H
InChIKeyYNKSYHUKAKUZAR-UHFFFAOYSA-N
XLogP1.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 51.70
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-ethylpyridine-4-carbothioamide;hydrochloride?
The IUPAC name of 2-ethylpyridine-4-carbothioamide;hydrochloride (CID 3036240) is 2-ethylpyridine-4-carbothioamide;hydrochloride.
What is the SMILES notation for 2-ethylpyridine-4-carbothioamide;hydrochloride?
The canonical SMILES for 2-ethylpyridine-4-carbothioamide;hydrochloride is CCc1cc(C(N)=S)ccn1.Cl.
What is the InChIKey of 2-ethylpyridine-4-carbothioamide;hydrochloride?
The InChIKey is YNKSYHUKAKUZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S.ClH/c1-2-7-5-6(8(9)11)3-4-10-7;/h3-5H,2H2,1H3,(H2,9,11);1H.
What are the key properties of 2-ethylpyridine-4-carbothioamide;hydrochloride?
2-ethylpyridine-4-carbothioamide;hydrochloride has a molecular weight of 202.71 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpyridine-4-carbothioamide;hydrochloride is sourced from PubChem (CID 3036240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).