1-oxothiolane-2,3-diol

C4H8O3S — CID 69121007

IUPAC1-oxothiolane-2,3-diol
SMILESO=S1CCC(O)C1O
InChIInChI=1S/C4H8O3S/c5-3-1-2-8(7)4(3)6/h3-6H,1-2H2
InChIKeyBWRYOBQMVXAVCX-UHFFFAOYSA-N
MW136.17 g/mol
LogP-1.18
Rot. Bonds

About 1-oxothiolane-2,3-diol

1-oxothiolane-2,3-diol (PubChem CID 69121007) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is 1-oxothiolane-2,3-diol.

Molecular Properties

Compound Name1-oxothiolane-2,3-diol
PubChem CID69121007
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name1-oxothiolane-2,3-diol
SMILESO=S1CCC(O)C1O
InChIInChI=1S/C4H8O3S/c5-3-1-2-8(7)4(3)6/h3-6H,1-2H2
InChIKeyBWRYOBQMVXAVCX-UHFFFAOYSA-N
XLogP-1.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxothiolane-2,3-diol?
The IUPAC name of 1-oxothiolane-2,3-diol (CID 69121007) is 1-oxothiolane-2,3-diol.
What is the SMILES notation for 1-oxothiolane-2,3-diol?
The canonical SMILES for 1-oxothiolane-2,3-diol is O=S1CCC(O)C1O.
What is the InChIKey of 1-oxothiolane-2,3-diol?
The InChIKey is BWRYOBQMVXAVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S/c5-3-1-2-8(7)4(3)6/h3-6H,1-2H2.
What are the key properties of 1-oxothiolane-2,3-diol?
1-oxothiolane-2,3-diol has a molecular weight of 136.17 g/mol, XLogP of -1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxothiolane-2,3-diol is sourced from PubChem (CID 69121007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).