2,3-dihydrofuran-3-thiol

C4H6OS — CID 21401493

IUPAC2,3-dihydrofuran-3-thiol
SMILESSC1C=COC1
InChIInChI=1S/C4H6OS/c6-4-1-2-5-3-4/h1-2,4,6H,3H2
InChIKeyOAPJCSRTBRHUDO-UHFFFAOYSA-N
MW102.16 g/mol
LogP0.83
Rot. Bonds

About 2,3-dihydrofuran-3-thiol

2,3-dihydrofuran-3-thiol (PubChem CID 21401493) has the molecular formula C4H6OS and a molecular weight of 102.16 g/mol. Its IUPAC name is 2,3-dihydrofuran-3-thiol.

Molecular Properties

Compound Name2,3-dihydrofuran-3-thiol
PubChem CID21401493
Molecular FormulaC4H6OS
Molecular Weight102.16 g/mol
Exact Mass102.01
IUPAC Name2,3-dihydrofuran-3-thiol
SMILESSC1C=COC1
InChIInChI=1S/C4H6OS/c6-4-1-2-5-3-4/h1-2,4,6H,3H2
InChIKeyOAPJCSRTBRHUDO-UHFFFAOYSA-N
XLogP0.83
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,3-dihydrofuran-3-thiol?
The IUPAC name of 2,3-dihydrofuran-3-thiol (CID 21401493) is 2,3-dihydrofuran-3-thiol.
What is the SMILES notation for 2,3-dihydrofuran-3-thiol?
The canonical SMILES for 2,3-dihydrofuran-3-thiol is SC1C=COC1.
What is the InChIKey of 2,3-dihydrofuran-3-thiol?
The InChIKey is OAPJCSRTBRHUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6OS/c6-4-1-2-5-3-4/h1-2,4,6H,3H2.
What are the key properties of 2,3-dihydrofuran-3-thiol?
2,3-dihydrofuran-3-thiol has a molecular weight of 102.16 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-3-thiol is sourced from PubChem (CID 21401493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).