3,4-dihydro-2H-thiopyran-2,3-diol

C5H8O2S — CID 67996265

IUPAC3,4-dihydro-2H-thiopyran-2,3-diol
SMILESOC1CC=CSC1O
InChIInChI=1S/C5H8O2S/c6-4-2-1-3-8-5(4)7/h1,3-7H,2H2
InChIKeyZKVZVBTYGOVODE-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.32
Rot. Bonds

About 3,4-dihydro-2H-thiopyran-2,3-diol

3,4-dihydro-2H-thiopyran-2,3-diol (PubChem CID 67996265) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiopyran-2,3-diol.

Molecular Properties

Compound Name3,4-dihydro-2H-thiopyran-2,3-diol
PubChem CID67996265
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name3,4-dihydro-2H-thiopyran-2,3-diol
SMILESOC1CC=CSC1O
InChIInChI=1S/C5H8O2S/c6-4-2-1-3-8-5(4)7/h1,3-7H,2H2
InChIKeyZKVZVBTYGOVODE-UHFFFAOYSA-N
XLogP0.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-thiopyran-2,3-diol?
The IUPAC name of 3,4-dihydro-2H-thiopyran-2,3-diol (CID 67996265) is 3,4-dihydro-2H-thiopyran-2,3-diol.
What is the SMILES notation for 3,4-dihydro-2H-thiopyran-2,3-diol?
The canonical SMILES for 3,4-dihydro-2H-thiopyran-2,3-diol is OC1CC=CSC1O.
What is the InChIKey of 3,4-dihydro-2H-thiopyran-2,3-diol?
The InChIKey is ZKVZVBTYGOVODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S/c6-4-2-1-3-8-5(4)7/h1,3-7H,2H2.
What are the key properties of 3,4-dihydro-2H-thiopyran-2,3-diol?
3,4-dihydro-2H-thiopyran-2,3-diol has a molecular weight of 132.18 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-thiopyran-2,3-diol is sourced from PubChem (CID 67996265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).