2-(hydroxymethyl)thiolane-3,4-diol

C5H10O3S — CID 18423712

IUPAC2-(hydroxymethyl)thiolane-3,4-diol
SMILESOCC1SCC(O)C1O
InChIInChI=1S/C5H10O3S/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2
InChIKeyVLVSFIRYIVAVKW-UHFFFAOYSA-N
MW150.20 g/mol
LogP-1.18
Rot. Bonds1

About 2-(hydroxymethyl)thiolane-3,4-diol

2-(hydroxymethyl)thiolane-3,4-diol (PubChem CID 18423712) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)thiolane-3,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)thiolane-3,4-diol
PubChem CID18423712
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name2-(hydroxymethyl)thiolane-3,4-diol
SMILESOCC1SCC(O)C1O
InChIInChI=1S/C5H10O3S/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2
InChIKeyVLVSFIRYIVAVKW-UHFFFAOYSA-N
XLogP-1.18
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)thiolane-3,4-diol?
The IUPAC name of 2-(hydroxymethyl)thiolane-3,4-diol (CID 18423712) is 2-(hydroxymethyl)thiolane-3,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)thiolane-3,4-diol?
The canonical SMILES for 2-(hydroxymethyl)thiolane-3,4-diol is OCC1SCC(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)thiolane-3,4-diol?
The InChIKey is VLVSFIRYIVAVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2.
What are the key properties of 2-(hydroxymethyl)thiolane-3,4-diol?
2-(hydroxymethyl)thiolane-3,4-diol has a molecular weight of 150.20 g/mol, XLogP of -1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)thiolane-3,4-diol is sourced from PubChem (CID 18423712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).