1-oxothiane-3,4-diol

C5H10O3S — CID 178007988

IUPAC1-oxothiane-3,4-diol
SMILESO=S1CCC(O)C(O)C1
InChIInChI=1S/C5H10O3S/c6-4-1-2-9(8)3-5(4)7/h4-7H,1-3H2
InChIKeyDGOMQTVBPYHJJR-UHFFFAOYSA-N
MW150.20 g/mol
LogP-1.14
Rot. Bonds

About 1-oxothiane-3,4-diol

1-oxothiane-3,4-diol (PubChem CID 178007988) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 1-oxothiane-3,4-diol.

Molecular Properties

Compound Name1-oxothiane-3,4-diol
PubChem CID178007988
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name1-oxothiane-3,4-diol
SMILESO=S1CCC(O)C(O)C1
InChIInChI=1S/C5H10O3S/c6-4-1-2-9(8)3-5(4)7/h4-7H,1-3H2
InChIKeyDGOMQTVBPYHJJR-UHFFFAOYSA-N
XLogP-1.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxothiane-3,4-diol?
The IUPAC name of 1-oxothiane-3,4-diol (CID 178007988) is 1-oxothiane-3,4-diol.
What is the SMILES notation for 1-oxothiane-3,4-diol?
The canonical SMILES for 1-oxothiane-3,4-diol is O=S1CCC(O)C(O)C1.
What is the InChIKey of 1-oxothiane-3,4-diol?
The InChIKey is DGOMQTVBPYHJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c6-4-1-2-9(8)3-5(4)7/h4-7H,1-3H2.
What are the key properties of 1-oxothiane-3,4-diol?
1-oxothiane-3,4-diol has a molecular weight of 150.20 g/mol, XLogP of -1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxothiane-3,4-diol is sourced from PubChem (CID 178007988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).