2-(phenylsulfanylmethyl)-1,3-dioxolane

C10H12O2S — CID 10488127

IUPAC2-(phenylsulfanylmethyl)-1,3-dioxolane
SMILESc1ccc(SCC2OCCO2)cc1
InChIInChI=1S/C10H12O2S/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5,10H,6-8H2
InChIKeyWKLHBMAQBPQOKU-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.15
Rot. Bonds3

About 2-(phenylsulfanylmethyl)-1,3-dioxolane

2-(phenylsulfanylmethyl)-1,3-dioxolane (PubChem CID 10488127) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-(phenylsulfanylmethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(phenylsulfanylmethyl)-1,3-dioxolane
PubChem CID10488127
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name2-(phenylsulfanylmethyl)-1,3-dioxolane
SMILESc1ccc(SCC2OCCO2)cc1
InChIInChI=1S/C10H12O2S/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5,10H,6-8H2
InChIKeyWKLHBMAQBPQOKU-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Phenylthio)tetrahydrofuran
CID 361776
2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
4-[Fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one
CID 11276240
1-[(2,2-Diethoxyethyl)thio]-4-fluorobenzene
CID 12475295
[(3,3-Diethoxypropyl)sulfanyl]benzene
CID 3746341
2-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
[(2,2-Diethoxyethyl)sulfanyl]benzene
CID 12463580
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane
CID 14593286
8-(Benzenesulfinyl)-1,4-dioxaspiro[4.4]nonane
CID 13479852
[(2,2-Dimethoxyethyl)thio]benzene
CID 10584119
1,3-Dioxolane, 2-[2-(phenylsulfonyl)ethyl]-
CID 11096791
4-Phenylthiomethyl-1,3-dioxolan-2-one
CID 11195172

Frequently Asked Questions

What is the IUPAC name of 2-(phenylsulfanylmethyl)-1,3-dioxolane?
The IUPAC name of 2-(phenylsulfanylmethyl)-1,3-dioxolane (CID 10488127) is 2-(phenylsulfanylmethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(phenylsulfanylmethyl)-1,3-dioxolane?
The canonical SMILES for 2-(phenylsulfanylmethyl)-1,3-dioxolane is c1ccc(SCC2OCCO2)cc1.
What is the InChIKey of 2-(phenylsulfanylmethyl)-1,3-dioxolane?
The InChIKey is WKLHBMAQBPQOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5,10H,6-8H2.
What are the key properties of 2-(phenylsulfanylmethyl)-1,3-dioxolane?
2-(phenylsulfanylmethyl)-1,3-dioxolane has a molecular weight of 196.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylsulfanylmethyl)-1,3-dioxolane is sourced from PubChem (CID 10488127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).