3-phenoxythiolane 1,1-dioxide

C10H12O3S — CID 3694015

IUPAC3-phenoxythiolane 1,1-dioxide
SMILESO=S1(=O)CCC(Oc2ccccc2)C1
InChIInChI=1S/C10H12O3S/c11-14(12)7-6-10(8-14)13-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyLALZVUZOCGQJGE-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.25
Rot. Bonds2

About 3-phenoxythiolane 1,1-dioxide

3-phenoxythiolane 1,1-dioxide (PubChem CID 3694015) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-phenoxythiolane 1,1-dioxide.

Molecular Properties

Compound Name3-phenoxythiolane 1,1-dioxide
PubChem CID3694015
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name3-phenoxythiolane 1,1-dioxide
SMILESO=S1(=O)CCC(Oc2ccccc2)C1
InChIInChI=1S/C10H12O3S/c11-14(12)7-6-10(8-14)13-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyLALZVUZOCGQJGE-UHFFFAOYSA-N
XLogP1.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenoxythiolane 1,1-dioxide?
The IUPAC name of 3-phenoxythiolane 1,1-dioxide (CID 3694015) is 3-phenoxythiolane 1,1-dioxide.
What is the SMILES notation for 3-phenoxythiolane 1,1-dioxide?
The canonical SMILES for 3-phenoxythiolane 1,1-dioxide is O=S1(=O)CCC(Oc2ccccc2)C1.
What is the InChIKey of 3-phenoxythiolane 1,1-dioxide?
The InChIKey is LALZVUZOCGQJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c11-14(12)7-6-10(8-14)13-9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 3-phenoxythiolane 1,1-dioxide?
3-phenoxythiolane 1,1-dioxide has a molecular weight of 212.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxythiolane 1,1-dioxide is sourced from PubChem (CID 3694015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).