5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid

C9H10O6S2 — CID 63947392

IUPAC5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)C2CCS(=O)(=O)C2)o1
InChIInChI=1S/C9H10O6S2/c10-9(11)7-1-2-8(15-7)16(12)6-3-4-17(13,14)5-6/h1-2,6H,3-5H2,(H,10,11)
InChIKeyALHLUEQATNWHOP-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.27
Rot. Bonds3

About 5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid

5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid (PubChem CID 63947392) has the molecular formula C9H10O6S2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid
PubChem CID63947392
Molecular FormulaC9H10O6S2
Molecular Weight278.31 g/mol
Exact Mass277.99
IUPAC Name5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)C2CCS(=O)(=O)C2)o1
InChIInChI=1S/C9H10O6S2/c10-9(11)7-1-2-8(15-7)16(12)6-3-4-17(13,14)5-6/h1-2,6H,3-5H2,(H,10,11)
InChIKeyALHLUEQATNWHOP-UHFFFAOYSA-N
XLogP0.27
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(oxolan-3-ylsulfinyl)furan-2-carboxylic acid
CID 63946565
5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylsulfinyl)furan-2-carboxylic acid
CID 79908483
5-methylsulfinylfuran-2-carboxylic acid
CID 63946376
5-[1-[(1,1-dioxothiolan-3-yl)-methylamino]ethyl]furan-2-carboxylic acid
CID 20990725
3-chloro-4-(1,1-dioxothiolan-3-yl)sulfinylaniline
CID 81182039
3-(2-fluorophenyl)sulfinylthiolane 1,1-dioxide
CID 64715422
2-(1,1-dioxothiolan-3-yl)sulfinylpyridin-3-amine
CID 61367917
5-(1,1-dioxo-1,4-thiazinan-4-yl)furan-2-carboxylic acid
CID 62207067
5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-2-carboxylic acid
CID 102884412
furan-2,5-dicarboxylic acid;indigane
CID 174700126
(1,1-dioxothiolan-3-yl)-(5-methylfuran-2-yl)methanone
CID 64913805
5-[2-(oxan-4-ylamino)-2-oxoethyl]sulfinylfuran-2-carboxylic acid
CID 63945370

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid?
The IUPAC name of 5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid (CID 63947392) is 5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid.
What is the SMILES notation for 5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid?
The canonical SMILES for 5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid is O=C(O)c1ccc(S(=O)C2CCS(=O)(=O)C2)o1.
What is the InChIKey of 5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid?
The InChIKey is ALHLUEQATNWHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O6S2/c10-9(11)7-1-2-8(15-7)16(12)6-3-4-17(13,14)5-6/h1-2,6H,3-5H2,(H,10,11).
What are the key properties of 5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid?
5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothiolan-3-yl)sulfinylfuran-2-carboxylic acid is sourced from PubChem (CID 63947392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).