2-phenylsulfanyl-1,3-dioxolane

C9H10O2S — CID 14388133

IUPAC2-phenylsulfanyl-1,3-dioxolane
SMILESc1ccc(SC2OCCO2)cc1
InChIInChI=1S/C9H10O2S/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-5,9H,6-7H2
InChIKeyITVVSLPWJXVQHR-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.11
Rot. Bonds2

About 2-phenylsulfanyl-1,3-dioxolane

2-phenylsulfanyl-1,3-dioxolane (PubChem CID 14388133) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-phenylsulfanyl-1,3-dioxolane.

Molecular Properties

Compound Name2-phenylsulfanyl-1,3-dioxolane
PubChem CID14388133
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name2-phenylsulfanyl-1,3-dioxolane
SMILESc1ccc(SC2OCCO2)cc1
InChIInChI=1S/C9H10O2S/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-5,9H,6-7H2
InChIKeyITVVSLPWJXVQHR-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-1,3-dioxolane?
The IUPAC name of 2-phenylsulfanyl-1,3-dioxolane (CID 14388133) is 2-phenylsulfanyl-1,3-dioxolane.
What is the SMILES notation for 2-phenylsulfanyl-1,3-dioxolane?
The canonical SMILES for 2-phenylsulfanyl-1,3-dioxolane is c1ccc(SC2OCCO2)cc1.
What is the InChIKey of 2-phenylsulfanyl-1,3-dioxolane?
The InChIKey is ITVVSLPWJXVQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-2-4-8(5-3-1)12-9-10-6-7-11-9/h1-5,9H,6-7H2.
What are the key properties of 2-phenylsulfanyl-1,3-dioxolane?
2-phenylsulfanyl-1,3-dioxolane has a molecular weight of 182.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-1,3-dioxolane is sourced from PubChem (CID 14388133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).