4-phenylsulfanyl-1,3-dioxolan-2-one

C9H8O3S — CID 11287057

IUPAC4-phenylsulfanyl-1,3-dioxolan-2-one
SMILESO=C1OCC(Sc2ccccc2)O1
InChIInChI=1S/C9H8O3S/c10-9-11-6-8(12-9)13-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyRGKJPSUIRWDBRT-UHFFFAOYSA-N
MW196.23 g/mol
LogP2.27
Rot. Bonds2

About 4-phenylsulfanyl-1,3-dioxolan-2-one

4-phenylsulfanyl-1,3-dioxolan-2-one (PubChem CID 11287057) has the molecular formula C9H8O3S and a molecular weight of 196.23 g/mol. Its IUPAC name is 4-phenylsulfanyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-phenylsulfanyl-1,3-dioxolan-2-one
PubChem CID11287057
Molecular FormulaC9H8O3S
Molecular Weight196.23 g/mol
Exact Mass196.02
IUPAC Name4-phenylsulfanyl-1,3-dioxolan-2-one
SMILESO=C1OCC(Sc2ccccc2)O1
InChIInChI=1S/C9H8O3S/c10-9-11-6-8(12-9)13-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyRGKJPSUIRWDBRT-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanyl-1,3-dioxolan-2-one?
The IUPAC name of 4-phenylsulfanyl-1,3-dioxolan-2-one (CID 11287057) is 4-phenylsulfanyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-phenylsulfanyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-phenylsulfanyl-1,3-dioxolan-2-one is O=C1OCC(Sc2ccccc2)O1.
What is the InChIKey of 4-phenylsulfanyl-1,3-dioxolan-2-one?
The InChIKey is RGKJPSUIRWDBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3S/c10-9-11-6-8(12-9)13-7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of 4-phenylsulfanyl-1,3-dioxolan-2-one?
4-phenylsulfanyl-1,3-dioxolan-2-one has a molecular weight of 196.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanyl-1,3-dioxolan-2-one is sourced from PubChem (CID 11287057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).