thiane-2,5-diol

C5H10O2S — CID 59510714

IUPACthiane-2,5-diol
SMILESOC1CCC(O)SC1
InChIInChI=1S/C5H10O2S/c6-4-1-2-5(7)8-3-4/h4-7H,1-3H2
InChIKeyPETVWQWSFVSGRO-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.19
Rot. Bonds

About thiane-2,5-diol

thiane-2,5-diol (PubChem CID 59510714) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is thiane-2,5-diol.

Molecular Properties

Compound Namethiane-2,5-diol
PubChem CID59510714
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Namethiane-2,5-diol
SMILESOC1CCC(O)SC1
InChIInChI=1S/C5H10O2S/c6-4-1-2-5(7)8-3-4/h4-7H,1-3H2
InChIKeyPETVWQWSFVSGRO-UHFFFAOYSA-N
XLogP0.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiane-2,5-diol?
The IUPAC name of thiane-2,5-diol (CID 59510714) is thiane-2,5-diol.
What is the SMILES notation for thiane-2,5-diol?
The canonical SMILES for thiane-2,5-diol is OC1CCC(O)SC1.
What is the InChIKey of thiane-2,5-diol?
The InChIKey is PETVWQWSFVSGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c6-4-1-2-5(7)8-3-4/h4-7H,1-3H2.
What are the key properties of thiane-2,5-diol?
thiane-2,5-diol has a molecular weight of 134.20 g/mol, XLogP of 0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiane-2,5-diol is sourced from PubChem (CID 59510714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).