thiolane-2,3,4,5-tetracarboxylic acid

C8H8O8S — CID 21446310

IUPACthiolane-2,3,4,5-tetracarboxylic acid
SMILESO=C(O)C1SC(C(=O)O)C(C(=O)O)C1C(=O)O
InChIInChI=1S/C8H8O8S/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14/h1-4H,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKeyHHAMLBXYLFHULS-UHFFFAOYSA-N
MW264.21 g/mol
LogP-0.96
Rot. Bonds4

About thiolane-2,3,4,5-tetracarboxylic acid

thiolane-2,3,4,5-tetracarboxylic acid (PubChem CID 21446310) has the molecular formula C8H8O8S and a molecular weight of 264.21 g/mol. Its IUPAC name is thiolane-2,3,4,5-tetracarboxylic acid.

Molecular Properties

Compound Namethiolane-2,3,4,5-tetracarboxylic acid
PubChem CID21446310
Molecular FormulaC8H8O8S
Molecular Weight264.21 g/mol
Exact Mass263.99
IUPAC Namethiolane-2,3,4,5-tetracarboxylic acid
SMILESO=C(O)C1SC(C(=O)O)C(C(=O)O)C1C(=O)O
InChIInChI=1S/C8H8O8S/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14/h1-4H,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKeyHHAMLBXYLFHULS-UHFFFAOYSA-N
XLogP-0.96
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of thiolane-2,3,4,5-tetracarboxylic acid?
The IUPAC name of thiolane-2,3,4,5-tetracarboxylic acid (CID 21446310) is thiolane-2,3,4,5-tetracarboxylic acid.
What is the SMILES notation for thiolane-2,3,4,5-tetracarboxylic acid?
The canonical SMILES for thiolane-2,3,4,5-tetracarboxylic acid is O=C(O)C1SC(C(=O)O)C(C(=O)O)C1C(=O)O.
What is the InChIKey of thiolane-2,3,4,5-tetracarboxylic acid?
The InChIKey is HHAMLBXYLFHULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O8S/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14/h1-4H,(H,9,10)(H,11,12)(H,13,14)(H,15,16).
What are the key properties of thiolane-2,3,4,5-tetracarboxylic acid?
thiolane-2,3,4,5-tetracarboxylic acid has a molecular weight of 264.21 g/mol, XLogP of -0.96, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiolane-2,3,4,5-tetracarboxylic acid is sourced from PubChem (CID 21446310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).