2-(oxetan-3-ylsulfanylmethyl)furan-3-carboxylic acid

C9H10O4S — CID 79325687

IUPAC2-(oxetan-3-ylsulfanylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CSC1COC1
InChIInChI=1S/C9H10O4S/c10-9(11)7-1-2-13-8(7)5-14-6-3-12-4-6/h1-2,6H,3-5H2,(H,10,11)
InChIKeyOPUUUETXWBHMNJ-UHFFFAOYSA-N
MW214.24 g/mol
LogP1.61
Rot. Bonds4

About 2-(oxetan-3-ylsulfanylmethyl)furan-3-carboxylic acid

2-(oxetan-3-ylsulfanylmethyl)furan-3-carboxylic acid (PubChem CID 79325687) has the molecular formula C9H10O4S and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-(oxetan-3-ylsulfanylmethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(oxetan-3-ylsulfanylmethyl)furan-3-carboxylic acid
PubChem CID79325687
Molecular FormulaC9H10O4S
Molecular Weight214.24 g/mol
Exact Mass214.03
IUPAC Name2-(oxetan-3-ylsulfanylmethyl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CSC1COC1
InChIInChI=1S/C9H10O4S/c10-9(11)7-1-2-13-8(7)5-14-6-3-12-4-6/h1-2,6H,3-5H2,(H,10,11)
InChIKeyOPUUUETXWBHMNJ-UHFFFAOYSA-N
XLogP1.61
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-ylsulfanylmethyl)furan-3-carboxylic acid?
The IUPAC name of 2-(oxetan-3-ylsulfanylmethyl)furan-3-carboxylic acid (CID 79325687) is 2-(oxetan-3-ylsulfanylmethyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(oxetan-3-ylsulfanylmethyl)furan-3-carboxylic acid?
The canonical SMILES for 2-(oxetan-3-ylsulfanylmethyl)furan-3-carboxylic acid is O=C(O)c1ccoc1CSC1COC1.
What is the InChIKey of 2-(oxetan-3-ylsulfanylmethyl)furan-3-carboxylic acid?
The InChIKey is OPUUUETXWBHMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4S/c10-9(11)7-1-2-13-8(7)5-14-6-3-12-4-6/h1-2,6H,3-5H2,(H,10,11).
What are the key properties of 2-(oxetan-3-ylsulfanylmethyl)furan-3-carboxylic acid?
2-(oxetan-3-ylsulfanylmethyl)furan-3-carboxylic acid has a molecular weight of 214.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-ylsulfanylmethyl)furan-3-carboxylic acid is sourced from PubChem (CID 79325687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).