3-methoxyfuran-2-thiol

C5H6O2S — CID 173178330

IUPAC3-methoxyfuran-2-thiol
SMILESCOc1ccoc1S
InChIInChI=1S/C5H6O2S/c1-6-4-2-3-7-5(4)8/h2-3,8H,1H3
InChIKeyASWBBTBNVBNGQB-UHFFFAOYSA-N
MW130.17 g/mol
LogP1.58
Rot. Bonds1

About 3-methoxyfuran-2-thiol

3-methoxyfuran-2-thiol (PubChem CID 173178330) has the molecular formula C5H6O2S and a molecular weight of 130.17 g/mol. Its IUPAC name is 3-methoxyfuran-2-thiol.

Molecular Properties

Compound Name3-methoxyfuran-2-thiol
PubChem CID173178330
Molecular FormulaC5H6O2S
Molecular Weight130.17 g/mol
Exact Mass130.01
IUPAC Name3-methoxyfuran-2-thiol
SMILESCOc1ccoc1S
InChIInChI=1S/C5H6O2S/c1-6-4-2-3-7-5(4)8/h2-3,8H,1H3
InChIKeyASWBBTBNVBNGQB-UHFFFAOYSA-N
XLogP1.58
TPSA22.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.58
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 3-methoxyfuran-2-thiol?
The IUPAC name of 3-methoxyfuran-2-thiol (CID 173178330) is 3-methoxyfuran-2-thiol.
What is the SMILES notation for 3-methoxyfuran-2-thiol?
The canonical SMILES for 3-methoxyfuran-2-thiol is COc1ccoc1S.
What is the InChIKey of 3-methoxyfuran-2-thiol?
The InChIKey is ASWBBTBNVBNGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2S/c1-6-4-2-3-7-5(4)8/h2-3,8H,1H3.
What are the key properties of 3-methoxyfuran-2-thiol?
3-methoxyfuran-2-thiol has a molecular weight of 130.17 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyfuran-2-thiol is sourced from PubChem (CID 173178330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).