2-(4-hydroxy-1,1-dioxothiolan-3-yl)acetic acid

C6H10O5S — CID 79418206

IUPAC2-(4-hydroxy-1,1-dioxothiolan-3-yl)acetic acid
SMILESO=C(O)CC1CS(=O)(=O)CC1O
InChIInChI=1S/C6H10O5S/c7-5-3-12(10,11)2-4(5)1-6(8)9/h4-5,7H,1-3H2,(H,8,9)
InChIKeyMVFXICVHPRUQFO-UHFFFAOYSA-N
MW194.21 g/mol
LogP-1.13
Rot. Bonds2

About 2-(4-hydroxy-1,1-dioxothiolan-3-yl)acetic acid

2-(4-hydroxy-1,1-dioxothiolan-3-yl)acetic acid (PubChem CID 79418206) has the molecular formula C6H10O5S and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-(4-hydroxy-1,1-dioxothiolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-1,1-dioxothiolan-3-yl)acetic acid
PubChem CID79418206
Molecular FormulaC6H10O5S
Molecular Weight194.21 g/mol
Exact Mass194.02
IUPAC Name2-(4-hydroxy-1,1-dioxothiolan-3-yl)acetic acid
SMILESO=C(O)CC1CS(=O)(=O)CC1O
InChIInChI=1S/C6H10O5S/c7-5-3-12(10,11)2-4(5)1-6(8)9/h4-5,7H,1-3H2,(H,8,9)
InChIKeyMVFXICVHPRUQFO-UHFFFAOYSA-N
XLogP-1.13
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1,1-dioxothiolan-3-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-1,1-dioxothiolan-3-yl)acetic acid (CID 79418206) is 2-(4-hydroxy-1,1-dioxothiolan-3-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-1,1-dioxothiolan-3-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-1,1-dioxothiolan-3-yl)acetic acid is O=C(O)CC1CS(=O)(=O)CC1O.
What is the InChIKey of 2-(4-hydroxy-1,1-dioxothiolan-3-yl)acetic acid?
The InChIKey is MVFXICVHPRUQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5S/c7-5-3-12(10,11)2-4(5)1-6(8)9/h4-5,7H,1-3H2,(H,8,9).
What are the key properties of 2-(4-hydroxy-1,1-dioxothiolan-3-yl)acetic acid?
2-(4-hydroxy-1,1-dioxothiolan-3-yl)acetic acid has a molecular weight of 194.21 g/mol, XLogP of -1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1,1-dioxothiolan-3-yl)acetic acid is sourced from PubChem (CID 79418206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).