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

C9H10O5S — CID 63946565

IUPAC5-(oxolan-3-ylsulfinyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)C2CCOC2)o1
InChIInChI=1S/C9H10O5S/c10-9(11)7-1-2-8(14-7)15(12)6-3-4-13-5-6/h1-2,6H,3-5H2,(H,10,11)
InChIKeyYOSJXSPJJUBREL-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.87
Rot. Bonds3

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

5-(oxolan-3-ylsulfinyl)furan-2-carboxylic acid (PubChem CID 63946565) has the molecular formula C9H10O5S and a molecular weight of 230.24 g/mol. Its IUPAC name is 5-(oxolan-3-ylsulfinyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(oxolan-3-ylsulfinyl)furan-2-carboxylic acid
PubChem CID63946565
Molecular FormulaC9H10O5S
Molecular Weight230.24 g/mol
Exact Mass230.02
IUPAC Name5-(oxolan-3-ylsulfinyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)C2CCOC2)o1
InChIInChI=1S/C9H10O5S/c10-9(11)7-1-2-8(14-7)15(12)6-3-4-13-5-6/h1-2,6H,3-5H2,(H,10,11)
InChIKeyYOSJXSPJJUBREL-UHFFFAOYSA-N
XLogP0.87
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)furan-2-carboxylic acid
CID 79908483
5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid
CID 63947392
5-[2-(oxan-4-ylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid
CID 63945370
5-methylsulfinylfuran-2-carboxylic acid
CID 63946376
5-(oxane-3-carbonyl)furan-2-carboxylic acid
CID 106946719
5-(oxolan-3-ylmethylsulfanyl)furan-2-carboxylic acid
CID 63943182
5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid
CID 79083632
5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid
CID 63943374
2-(oxan-4-ylsulfinyl)benzoic acid
CID 63936899
2-imino-2-[4-[(3S)-oxolan-3-yl]sulfinylphenyl]acetamide
CID 143392271
furan-2,5-dicarboxylic acid;indigane
CID 174700126
2-methyl-5-(oxan-3-ylsulfinyl)benzoic acid
CID 107137198

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-ylsulfinyl)furan-2-carboxylic acid?
The IUPAC name of 5-(oxolan-3-ylsulfinyl)furan-2-carboxylic acid (CID 63946565) is 5-(oxolan-3-ylsulfinyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(oxolan-3-ylsulfinyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(oxolan-3-ylsulfinyl)furan-2-carboxylic acid is O=C(O)c1ccc(S(=O)C2CCOC2)o1.
What is the InChIKey of 5-(oxolan-3-ylsulfinyl)furan-2-carboxylic acid?
The InChIKey is YOSJXSPJJUBREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5S/c10-9(11)7-1-2-8(14-7)15(12)6-3-4-13-5-6/h1-2,6H,3-5H2,(H,10,11).
What are the key properties of 5-(oxolan-3-ylsulfinyl)furan-2-carboxylic acid?
5-(oxolan-3-ylsulfinyl)furan-2-carboxylic acid has a molecular weight of 230.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-ylsulfinyl)furan-2-carboxylic acid is sourced from PubChem (CID 63946565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).