(2R,5S)-1,1-dioxothiolane-2,5-dicarboxylic acid

C6H8O6S — CID 66591257

IUPAC(2R,5S)-1,1-dioxothiolane-2,5-dicarboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)O)S1(=O)=O
InChIInChI=1S/C6H8O6S/c7-5(8)3-1-2-4(6(9)10)13(3,11)12/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4+
InChIKeyMLGZZLYXBDRGAF-ZXZARUISSA-N
MW208.19 g/mol
LogP-0.90
Rot. Bonds2

About (2R,5S)-1,1-dioxothiolane-2,5-dicarboxylic acid

(2R,5S)-1,1-dioxothiolane-2,5-dicarboxylic acid (PubChem CID 66591257) has the molecular formula C6H8O6S and a molecular weight of 208.19 g/mol. Its IUPAC name is (2R,5S)-1,1-dioxothiolane-2,5-dicarboxylic acid.

Molecular Properties

Compound Name(2R,5S)-1,1-dioxothiolane-2,5-dicarboxylic acid
PubChem CID66591257
Molecular FormulaC6H8O6S
Molecular Weight208.19 g/mol
Exact Mass208.00
IUPAC Name(2R,5S)-1,1-dioxothiolane-2,5-dicarboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)O)S1(=O)=O
InChIInChI=1S/C6H8O6S/c7-5(8)3-1-2-4(6(9)10)13(3,11)12/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4+
InChIKeyMLGZZLYXBDRGAF-ZXZARUISSA-N
XLogP-0.90
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1,1-dioxothiolane-2,5-dicarboxylic acid?
The IUPAC name of (2R,5S)-1,1-dioxothiolane-2,5-dicarboxylic acid (CID 66591257) is (2R,5S)-1,1-dioxothiolane-2,5-dicarboxylic acid.
What is the SMILES notation for (2R,5S)-1,1-dioxothiolane-2,5-dicarboxylic acid?
The canonical SMILES for (2R,5S)-1,1-dioxothiolane-2,5-dicarboxylic acid is O=C(O)[C@H]1CC[C@@H](C(=O)O)S1(=O)=O.
What is the InChIKey of (2R,5S)-1,1-dioxothiolane-2,5-dicarboxylic acid?
The InChIKey is MLGZZLYXBDRGAF-ZXZARUISSA-N. The full InChI is InChI=1S/C6H8O6S/c7-5(8)3-1-2-4(6(9)10)13(3,11)12/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4+.
What are the key properties of (2R,5S)-1,1-dioxothiolane-2,5-dicarboxylic acid?
(2R,5S)-1,1-dioxothiolane-2,5-dicarboxylic acid has a molecular weight of 208.19 g/mol, XLogP of -0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1,1-dioxothiolane-2,5-dicarboxylic acid is sourced from PubChem (CID 66591257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).