5-sulfanylfuran-2-carbonitrile

C5H3NOS — CID 21404888

IUPAC5-sulfanylfuran-2-carbonitrile
SMILESN#Cc1ccc(S)o1
InChIInChI=1S/C5H3NOS/c6-3-4-1-2-5(8)7-4/h1-2,8H
InChIKeyJFMIFNPUXHZLTM-UHFFFAOYSA-N
MW125.15 g/mol
LogP1.44
Rot. Bonds

About 5-sulfanylfuran-2-carbonitrile

5-sulfanylfuran-2-carbonitrile (PubChem CID 21404888) has the molecular formula C5H3NOS and a molecular weight of 125.15 g/mol. Its IUPAC name is 5-sulfanylfuran-2-carbonitrile.

Molecular Properties

Compound Name5-sulfanylfuran-2-carbonitrile
PubChem CID21404888
Molecular FormulaC5H3NOS
Molecular Weight125.15 g/mol
Exact Mass124.99
IUPAC Name5-sulfanylfuran-2-carbonitrile
SMILESN#Cc1ccc(S)o1
InChIInChI=1S/C5H3NOS/c6-3-4-1-2-5(8)7-4/h1-2,8H
InChIKeyJFMIFNPUXHZLTM-UHFFFAOYSA-N
XLogP1.44
TPSA36.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-sulfanylfuran-2-carbonitrile?
The IUPAC name of 5-sulfanylfuran-2-carbonitrile (CID 21404888) is 5-sulfanylfuran-2-carbonitrile.
What is the SMILES notation for 5-sulfanylfuran-2-carbonitrile?
The canonical SMILES for 5-sulfanylfuran-2-carbonitrile is N#Cc1ccc(S)o1.
What is the InChIKey of 5-sulfanylfuran-2-carbonitrile?
The InChIKey is JFMIFNPUXHZLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NOS/c6-3-4-1-2-5(8)7-4/h1-2,8H.
What are the key properties of 5-sulfanylfuran-2-carbonitrile?
5-sulfanylfuran-2-carbonitrile has a molecular weight of 125.15 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfanylfuran-2-carbonitrile is sourced from PubChem (CID 21404888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).