5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid

C10H12O4S — CID 63943182

IUPAC5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(SCC2CCOC2)o1
InChIInChI=1S/C10H12O4S/c11-10(12)8-1-2-9(14-8)15-6-7-3-4-13-5-7/h1-2,7H,3-6H2,(H,11,12)
InChIKeyUFQOTNRTVOITLQ-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.11
Rot. Bonds4

About 5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid

5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid (PubChem CID 63943182) has the molecular formula C10H12O4S and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid
PubChem CID63943182
Molecular FormulaC10H12O4S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Name5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(SCC2CCOC2)o1
InChIInChI=1S/C10H12O4S/c11-10(12)8-1-2-9(14-8)15-6-7-3-4-13-5-7/h1-2,7H,3-6H2,(H,11,12)
InChIKeyUFQOTNRTVOITLQ-UHFFFAOYSA-N
XLogP2.11
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid
CID 63943374
5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylsulfanyl)furan-2-carboxylic acid
CID 66419860
5-[methyl(oxan-4-ylmethyl)amino]furan-2-carboxylic acid
CID 63706715
5-(2-aminoethylsulfanyl)furan-2-carboxylic acid
CID 63942556
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
1-[3-(oxolan-3-ylmethylsulfanyl)phenyl]ethanone
CID 64661703
5-[2-(azocan-1-yl)-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63942950
4-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-2-oxoethyl]benzoic acid
CID 129469912
2-[4-[(oxolan-3-ylmethylamino)methyl]phenyl]propanoic acid
CID 103242573
1-(oxolan-3-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 103986247
1-(5-bromofuran-2-yl)-2-(oxolan-3-yl)ethanone
CID 130900994
5-(oxolan-3-ylsulfinyl)furan-2-carboxylic acid
CID 63946565

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid?
The IUPAC name of 5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid (CID 63943182) is 5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid is O=C(O)c1ccc(SCC2CCOC2)o1.
What is the InChIKey of 5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid?
The InChIKey is UFQOTNRTVOITLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S/c11-10(12)8-1-2-9(14-8)15-6-7-3-4-13-5-7/h1-2,7H,3-6H2,(H,11,12).
What are the key properties of 5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid?
5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid has a molecular weight of 228.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid is sourced from PubChem (CID 63943182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).