3-[1-(sulfanylamino)ethyl]-1H-pyridine-2-thione;hydrochloride

C7H11ClN2S2 — CID 141230634

IUPAC3-[1-(sulfanylamino)ethyl]-1H-pyridine-2-thione;hydrochloride
SMILESCC(NS)c1ccc[nH]c1=S.Cl
InChIInChI=1S/C7H10N2S2.ClH/c1-5(9-11)6-3-2-4-8-7(6)10;/h2-5,9,11H,1H3,(H,8,10);1H
InChIKeyOTBNWNVWHHJZKM-UHFFFAOYSA-N
MW222.77 g/mol
LogP2.66
Rot. Bonds2

About 3-[1-(sulfanylamino)ethyl]-1H-pyridine-2-thione;hydrochloride

3-[1-(sulfanylamino)ethyl]-1H-pyridine-2-thione;hydrochloride (PubChem CID 141230634) has the molecular formula C7H11ClN2S2 and a molecular weight of 222.77 g/mol. Its IUPAC name is 3-[1-(sulfanylamino)ethyl]-1H-pyridine-2-thione;hydrochloride.

Molecular Properties

Compound Name3-[1-(sulfanylamino)ethyl]-1H-pyridine-2-thione;hydrochloride
PubChem CID141230634
Molecular FormulaC7H11ClN2S2
Molecular Weight222.77 g/mol
Exact Mass222.01
IUPAC Name3-[1-(sulfanylamino)ethyl]-1H-pyridine-2-thione;hydrochloride
SMILESCC(NS)c1ccc[nH]c1=S.Cl
InChIInChI=1S/C7H10N2S2.ClH/c1-5(9-11)6-3-2-4-8-7(6)10;/h2-5,9,11H,1H3,(H,8,10);1H
InChIKeyOTBNWNVWHHJZKM-UHFFFAOYSA-N
XLogP2.66
TPSA27.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.77
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(sulfanylamino)ethyl]-1H-pyridine-2-thione;hydrochloride?
The IUPAC name of 3-[1-(sulfanylamino)ethyl]-1H-pyridine-2-thione;hydrochloride (CID 141230634) is 3-[1-(sulfanylamino)ethyl]-1H-pyridine-2-thione;hydrochloride.
What is the SMILES notation for 3-[1-(sulfanylamino)ethyl]-1H-pyridine-2-thione;hydrochloride?
The canonical SMILES for 3-[1-(sulfanylamino)ethyl]-1H-pyridine-2-thione;hydrochloride is CC(NS)c1ccc[nH]c1=S.Cl.
What is the InChIKey of 3-[1-(sulfanylamino)ethyl]-1H-pyridine-2-thione;hydrochloride?
The InChIKey is OTBNWNVWHHJZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S2.ClH/c1-5(9-11)6-3-2-4-8-7(6)10;/h2-5,9,11H,1H3,(H,8,10);1H.
What are the key properties of 3-[1-(sulfanylamino)ethyl]-1H-pyridine-2-thione;hydrochloride?
3-[1-(sulfanylamino)ethyl]-1H-pyridine-2-thione;hydrochloride has a molecular weight of 222.77 g/mol, XLogP of 2.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(sulfanylamino)ethyl]-1H-pyridine-2-thione;hydrochloride is sourced from PubChem (CID 141230634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).