2-ethyl-1H-pyridine-4-thione;hydrochloride

C7H10ClNS — CID 19066656

IUPAC2-ethyl-1H-pyridine-4-thione;hydrochloride
SMILESCCc1cc(=S)cc[nH]1.Cl
InChIInChI=1S/C7H9NS.ClH/c1-2-6-5-7(9)3-4-8-6;/h3-5H,2H2,1H3,(H,8,9);1H
InChIKeySQZWMPZEWNZFBV-UHFFFAOYSA-N
MW175.68 g/mol
LogP2.73
Rot. Bonds1

About 2-ethyl-1H-pyridine-4-thione;hydrochloride

2-ethyl-1H-pyridine-4-thione;hydrochloride (PubChem CID 19066656) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is 2-ethyl-1H-pyridine-4-thione;hydrochloride.

Molecular Properties

Compound Name2-ethyl-1H-pyridine-4-thione;hydrochloride
PubChem CID19066656
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC Name2-ethyl-1H-pyridine-4-thione;hydrochloride
SMILESCCc1cc(=S)cc[nH]1.Cl
InChIInChI=1S/C7H9NS.ClH/c1-2-6-5-7(9)3-4-8-6;/h3-5H,2H2,1H3,(H,8,9);1H
InChIKeySQZWMPZEWNZFBV-UHFFFAOYSA-N
XLogP2.73
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-2-methylpyridine-4-thiol
CID 124139701
(Z)-4-ethylamino-pent-3-ene-2-thione
CID 14197075
2-Ethyl-1,4-dihydropyridine
CID 17998254
4-Mercapto-ethyl-pyridine
CID 19066657
5-fluoro-2-methyl-1H-pyridine-4-thione
CID 143707876
(2,4-dimethyl-1H-pyridin-4-yl) thiohypofluorite
CID 144170215
3-fluoro-2-methyl-1H-pyridine-4-thione
CID 155002553
2-Methyl-1,4-dihydropyridine
CID 11332418
1,4-Dihydropyridin-2-ylmethanethiol
CID 19831200
2-Methylpyridine-4-thiol
CID 20438980
2-propyl-1H-pyridine-4-thione
CID 22592232
1,4-Dihydropyridine-2-carbothialdehyde
CID 23165733

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1H-pyridine-4-thione;hydrochloride?
The IUPAC name of 2-ethyl-1H-pyridine-4-thione;hydrochloride (CID 19066656) is 2-ethyl-1H-pyridine-4-thione;hydrochloride.
What is the SMILES notation for 2-ethyl-1H-pyridine-4-thione;hydrochloride?
The canonical SMILES for 2-ethyl-1H-pyridine-4-thione;hydrochloride is CCc1cc(=S)cc[nH]1.Cl.
What is the InChIKey of 2-ethyl-1H-pyridine-4-thione;hydrochloride?
The InChIKey is SQZWMPZEWNZFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS.ClH/c1-2-6-5-7(9)3-4-8-6;/h3-5H,2H2,1H3,(H,8,9);1H.
What are the key properties of 2-ethyl-1H-pyridine-4-thione;hydrochloride?
2-ethyl-1H-pyridine-4-thione;hydrochloride has a molecular weight of 175.68 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1H-pyridine-4-thione;hydrochloride is sourced from PubChem (CID 19066656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).