2-hydroxysulfanyl-1H-pyrrole

C4H5NOS — CID 119084307

IUPAC2-hydroxysulfanyl-1H-pyrrole
SMILESOSc1ccc[nH]1
InChIInChI=1S/C4H5NOS/c6-7-4-2-1-3-5-4/h1-3,5-6H
InChIKeyLJGPNWXFNCJOKY-UHFFFAOYSA-N
MW115.16 g/mol
LogP1.58
Rot. Bonds1

About 2-hydroxysulfanyl-1H-pyrrole

2-hydroxysulfanyl-1H-pyrrole (PubChem CID 119084307) has the molecular formula C4H5NOS and a molecular weight of 115.16 g/mol. Its IUPAC name is 2-hydroxysulfanyl-1H-pyrrole.

Molecular Properties

Compound Name2-hydroxysulfanyl-1H-pyrrole
PubChem CID119084307
Molecular FormulaC4H5NOS
Molecular Weight115.16 g/mol
Exact Mass115.01
IUPAC Name2-hydroxysulfanyl-1H-pyrrole
SMILESOSc1ccc[nH]1
InChIInChI=1S/C4H5NOS/c6-7-4-2-1-3-5-4/h1-3,5-6H
InChIKeyLJGPNWXFNCJOKY-UHFFFAOYSA-N
XLogP1.58
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxysulfanyl-1H-pyrrole?
The IUPAC name of 2-hydroxysulfanyl-1H-pyrrole (CID 119084307) is 2-hydroxysulfanyl-1H-pyrrole.
What is the SMILES notation for 2-hydroxysulfanyl-1H-pyrrole?
The canonical SMILES for 2-hydroxysulfanyl-1H-pyrrole is OSc1ccc[nH]1.
What is the InChIKey of 2-hydroxysulfanyl-1H-pyrrole?
The InChIKey is LJGPNWXFNCJOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NOS/c6-7-4-2-1-3-5-4/h1-3,5-6H.
What are the key properties of 2-hydroxysulfanyl-1H-pyrrole?
2-hydroxysulfanyl-1H-pyrrole has a molecular weight of 115.16 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxysulfanyl-1H-pyrrole is sourced from PubChem (CID 119084307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).