2-sulfinylpyrrole

C4H3NOS — CID 22927350

IUPAC2-sulfinylpyrrole
SMILESO=S=C1C=CC=N1
InChIInChI=1S/C4H3NOS/c6-7-4-2-1-3-5-4/h1-3H
InChIKeyADWMKGCKKNULPN-UHFFFAOYSA-N
MW113.14 g/mol
LogP-0.03
Rot. Bonds

About 2-sulfinylpyrrole

2-sulfinylpyrrole (PubChem CID 22927350) has the molecular formula C4H3NOS and a molecular weight of 113.14 g/mol. Its IUPAC name is 2-sulfinylpyrrole.

Molecular Properties

Compound Name2-sulfinylpyrrole
PubChem CID22927350
Molecular FormulaC4H3NOS
Molecular Weight113.14 g/mol
Exact Mass112.99
IUPAC Name2-sulfinylpyrrole
SMILESO=S=C1C=CC=N1
InChIInChI=1S/C4H3NOS/c6-7-4-2-1-3-5-4/h1-3H
InChIKeyADWMKGCKKNULPN-UHFFFAOYSA-N
XLogP-0.03
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-sulfinylpyrrole?
The IUPAC name of 2-sulfinylpyrrole (CID 22927350) is 2-sulfinylpyrrole.
What is the SMILES notation for 2-sulfinylpyrrole?
The canonical SMILES for 2-sulfinylpyrrole is O=S=C1C=CC=N1.
What is the InChIKey of 2-sulfinylpyrrole?
The InChIKey is ADWMKGCKKNULPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NOS/c6-7-4-2-1-3-5-4/h1-3H.
What are the key properties of 2-sulfinylpyrrole?
2-sulfinylpyrrole has a molecular weight of 113.14 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfinylpyrrole is sourced from PubChem (CID 22927350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).