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

C6H10O5S — CID 63166174

IUPAC2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid
SMILESO=C(O)CC1(O)CCS(=O)(=O)C1
InChIInChI=1S/C6H10O5S/c7-5(8)3-6(9)1-2-12(10,11)4-6/h9H,1-4H2,(H,7,8)
InChIKeyJLHBZSIXJMRASY-UHFFFAOYSA-N
MW194.21 g/mol
LogP-0.99
Rot. Bonds2

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

2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid (PubChem CID 63166174) has the molecular formula C6H10O5S and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid
PubChem CID63166174
Molecular FormulaC6H10O5S
Molecular Weight194.21 g/mol
Exact Mass194.02
IUPAC Name2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid
SMILESO=C(O)CC1(O)CCS(=O)(=O)C1
InChIInChI=1S/C6H10O5S/c7-5(8)3-6(9)1-2-12(10,11)4-6/h9H,1-4H2,(H,7,8)
InChIKeyJLHBZSIXJMRASY-UHFFFAOYSA-N
XLogP-0.99
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 ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid?
The IUPAC name of 2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid (CID 63166174) is 2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid?
The canonical SMILES for 2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid is O=C(O)CC1(O)CCS(=O)(=O)C1.
What is the InChIKey of 2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid?
The InChIKey is JLHBZSIXJMRASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5S/c7-5(8)3-6(9)1-2-12(10,11)4-6/h9H,1-4H2,(H,7,8).
What are the key properties of 2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid?
2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid has a molecular weight of 194.21 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1,1-dioxothiolan-3-yl)acetic acid is sourced from PubChem (CID 63166174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).