thiolan-2-ylmethanediol

C5H10O2S — CID 5252919

IUPACthiolan-2-ylmethanediol
SMILESOC(O)C1CCCS1
InChIInChI=1S/C5H10O2S/c6-5(7)4-2-1-3-8-4/h4-7H,1-3H2
InChIKeyUIIKONPZTJPBAH-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.19
Rot. Bonds1

About thiolan-2-ylmethanediol

thiolan-2-ylmethanediol (PubChem CID 5252919) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is thiolan-2-ylmethanediol.

Molecular Properties

Compound Namethiolan-2-ylmethanediol
PubChem CID5252919
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Namethiolan-2-ylmethanediol
SMILESOC(O)C1CCCS1
InChIInChI=1S/C5H10O2S/c6-5(7)4-2-1-3-8-4/h4-7H,1-3H2
InChIKeyUIIKONPZTJPBAH-UHFFFAOYSA-N
XLogP0.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of thiolan-2-ylmethanediol?
The IUPAC name of thiolan-2-ylmethanediol (CID 5252919) is thiolan-2-ylmethanediol.
What is the SMILES notation for thiolan-2-ylmethanediol?
The canonical SMILES for thiolan-2-ylmethanediol is OC(O)C1CCCS1.
What is the InChIKey of thiolan-2-ylmethanediol?
The InChIKey is UIIKONPZTJPBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c6-5(7)4-2-1-3-8-4/h4-7H,1-3H2.
What are the key properties of thiolan-2-ylmethanediol?
thiolan-2-ylmethanediol has a molecular weight of 134.20 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiolan-2-ylmethanediol is sourced from PubChem (CID 5252919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).