5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid

C10H12O4S — CID 106946211

IUPAC5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid
SMILESCC1CC(O)(c2ccc(C(=O)O)o2)CS1
InChIInChI=1S/C10H12O4S/c1-6-4-10(13,5-15-6)8-3-2-7(14-8)9(11)12/h2-3,6,13H,4-5H2,1H3,(H,11,12)
InChIKeyVPKPSUBLGCVUHV-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.69
Rot. Bonds2

About 5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid

5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid (PubChem CID 106946211) has the molecular formula C10H12O4S and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid
PubChem CID106946211
Molecular FormulaC10H12O4S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Name5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid
SMILESCC1CC(O)(c2ccc(C(=O)O)o2)CS1
InChIInChI=1S/C10H12O4S/c1-6-4-10(13,5-15-6)8-3-2-7(14-8)9(11)12/h2-3,6,13H,4-5H2,1H3,(H,11,12)
InChIKeyVPKPSUBLGCVUHV-UHFFFAOYSA-N
XLogP1.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-ethyl-1-hydroxycyclopentyl)furan-2-carboxylic acid
CID 106946107
5-(3-hydroxy-1-methylpyrrolidin-3-yl)furan-2-carboxylic acid
CID 106945846
5-(3-amino-1-hydroxycyclohexyl)furan-2-carboxylic acid
CID 106946250
5-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)furan-2-carboxylic acid
CID 106945824
methyl 5-(1-hydroxy-3-methylcyclobutyl)furan-2-carboxylate
CID 106946497
5-(3-hydroxypiperidin-3-yl)furan-2-carboxylic acid
CID 103840627
5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid
CID 106946294
5-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)furan-2-carboxylic acid
CID 106946439
5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol
CID 102829319
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-[(2-methylcyclopropyl)amino]furan-2-carboxylic acid
CID 62409956
5-trimethylgermylfuran-2-carboxylic acid
CID 13199575

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid (CID 106946211) is 5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid is CC1CC(O)(c2ccc(C(=O)O)o2)CS1.
What is the InChIKey of 5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid?
The InChIKey is VPKPSUBLGCVUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S/c1-6-4-10(13,5-15-6)8-3-2-7(14-8)9(11)12/h2-3,6,13H,4-5H2,1H3,(H,11,12).
What are the key properties of 5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid?
5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid has a molecular weight of 228.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid is sourced from PubChem (CID 106946211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).