4-(phenylsulfanylmethyl)-1,3-dioxolan-2-one

C10H10O3S — CID 11195172

IUPAC4-(phenylsulfanylmethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(CSc2ccccc2)O1
InChIInChI=1S/C10H10O3S/c11-10-12-6-8(13-10)7-14-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyXYFWELZGHQQUAC-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.31
Rot. Bonds3

About 4-(phenylsulfanylmethyl)-1,3-dioxolan-2-one

4-(phenylsulfanylmethyl)-1,3-dioxolan-2-one (PubChem CID 11195172) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-(phenylsulfanylmethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(phenylsulfanylmethyl)-1,3-dioxolan-2-one
PubChem CID11195172
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Name4-(phenylsulfanylmethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(CSc2ccccc2)O1
InChIInChI=1S/C10H10O3S/c11-10-12-6-8(13-10)7-14-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyXYFWELZGHQQUAC-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(phenylsulfanylmethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(phenylsulfanylmethyl)-1,3-dioxolan-2-one (CID 11195172) is 4-(phenylsulfanylmethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(phenylsulfanylmethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(phenylsulfanylmethyl)-1,3-dioxolan-2-one is O=C1OCC(CSc2ccccc2)O1.
What is the InChIKey of 4-(phenylsulfanylmethyl)-1,3-dioxolan-2-one?
The InChIKey is XYFWELZGHQQUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S/c11-10-12-6-8(13-10)7-14-9-4-2-1-3-5-9/h1-5,8H,6-7H2.
What are the key properties of 4-(phenylsulfanylmethyl)-1,3-dioxolan-2-one?
4-(phenylsulfanylmethyl)-1,3-dioxolan-2-one has a molecular weight of 210.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylsulfanylmethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 11195172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).