pyrrole-2-thione;hydrochloride

C4H4ClNS — CID 141090647

IUPACpyrrole-2-thione;hydrochloride
SMILESCl.S=C1C=CC=N1
InChIInChI=1S/C4H3NS.ClH/c6-4-2-1-3-5-4;/h1-3H;1H
InChIKeyZJGUKRPUAHGZLL-UHFFFAOYSA-N
MW133.60 g/mol
LogP1.38
Rot. Bonds

About pyrrole-2-thione;hydrochloride

pyrrole-2-thione;hydrochloride (PubChem CID 141090647) has the molecular formula C4H4ClNS and a molecular weight of 133.60 g/mol. Its IUPAC name is pyrrole-2-thione;hydrochloride.

Molecular Properties

Compound Namepyrrole-2-thione;hydrochloride
PubChem CID141090647
Molecular FormulaC4H4ClNS
Molecular Weight133.60 g/mol
Exact Mass132.98
IUPAC Namepyrrole-2-thione;hydrochloride
SMILESCl.S=C1C=CC=N1
InChIInChI=1S/C4H3NS.ClH/c6-4-2-1-3-5-4;/h1-3H;1H
InChIKeyZJGUKRPUAHGZLL-UHFFFAOYSA-N
XLogP1.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.60
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2H-pyrrole
CID 6857512
Azolethione
CID 21714751
Azepinethione
CID 22442198
2-Thionyl pyrrole
CID 22927350
2H-pyrrol-2-ylium
CID 20755689
3-Methylpyrrole-2-thione
CID 54115246
2H-pyrrole-4-thiol
CID 57700460
2-Sulfonylpyrrole;hydrochloride
CID 87672295
Ethane;pyrrole-2-thione
CID 123223243
2H-pyrrole;hydrochloride
CID 141794639
Pyrrol-1-ium-2-thiol
CID 164172681
hydron;2H-pyrrole
CID 174472212

Frequently Asked Questions

What is the IUPAC name of pyrrole-2-thione;hydrochloride?
The IUPAC name of pyrrole-2-thione;hydrochloride (CID 141090647) is pyrrole-2-thione;hydrochloride.
What is the SMILES notation for pyrrole-2-thione;hydrochloride?
The canonical SMILES for pyrrole-2-thione;hydrochloride is Cl.S=C1C=CC=N1.
What is the InChIKey of pyrrole-2-thione;hydrochloride?
The InChIKey is ZJGUKRPUAHGZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NS.ClH/c6-4-2-1-3-5-4;/h1-3H;1H.
What are the key properties of pyrrole-2-thione;hydrochloride?
pyrrole-2-thione;hydrochloride has a molecular weight of 133.60 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrole-2-thione;hydrochloride is sourced from PubChem (CID 141090647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).