4-methyl-5-phenyl-1,3,2-dioxathiolane 2-oxide

C9H10O3S — CID 14925068

IUPAC4-methyl-5-phenyl-1,3,2-dioxathiolane 2-oxide
SMILESCC1OS(=O)OC1c1ccccc1
InChIInChI=1S/C9H10O3S/c1-7-9(12-13(10)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKeyHSQMOJGDXVLKHC-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.74
Rot. Bonds1

About 4-methyl-5-phenyl-1,3,2-dioxathiolane 2-oxide

4-methyl-5-phenyl-1,3,2-dioxathiolane 2-oxide (PubChem CID 14925068) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is 4-methyl-5-phenyl-1,3,2-dioxathiolane 2-oxide.

Molecular Properties

Compound Name4-methyl-5-phenyl-1,3,2-dioxathiolane 2-oxide
PubChem CID14925068
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name4-methyl-5-phenyl-1,3,2-dioxathiolane 2-oxide
SMILESCC1OS(=O)OC1c1ccccc1
InChIInChI=1S/C9H10O3S/c1-7-9(12-13(10)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKeyHSQMOJGDXVLKHC-UHFFFAOYSA-N
XLogP1.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-1,3,2-dioxathiolane 2-oxide?
The IUPAC name of 4-methyl-5-phenyl-1,3,2-dioxathiolane 2-oxide (CID 14925068) is 4-methyl-5-phenyl-1,3,2-dioxathiolane 2-oxide.
What is the SMILES notation for 4-methyl-5-phenyl-1,3,2-dioxathiolane 2-oxide?
The canonical SMILES for 4-methyl-5-phenyl-1,3,2-dioxathiolane 2-oxide is CC1OS(=O)OC1c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyl-1,3,2-dioxathiolane 2-oxide?
The InChIKey is HSQMOJGDXVLKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3S/c1-7-9(12-13(10)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3.
What are the key properties of 4-methyl-5-phenyl-1,3,2-dioxathiolane 2-oxide?
4-methyl-5-phenyl-1,3,2-dioxathiolane 2-oxide has a molecular weight of 198.24 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-1,3,2-dioxathiolane 2-oxide is sourced from PubChem (CID 14925068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).