3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide

C12H16O3S — CID 83381393

IUPAC3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide
SMILESCc1cccc(OC2CCS(=O)(=O)C2)c1C
InChIInChI=1S/C12H16O3S/c1-9-4-3-5-12(10(9)2)15-11-6-7-16(13,14)8-11/h3-5,11H,6-8H2,1-2H3
InChIKeyNIKWTKFXFIGLEF-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.87
Rot. Bonds2

About 3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide

3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide (PubChem CID 83381393) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide
PubChem CID83381393
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide
SMILESCc1cccc(OC2CCS(=O)(=O)C2)c1C
InChIInChI=1S/C12H16O3S/c1-9-4-3-5-12(10(9)2)15-11-6-7-16(13,14)8-11/h3-5,11H,6-8H2,1-2H3
InChIKeyNIKWTKFXFIGLEF-UHFFFAOYSA-N
XLogP1.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-naphthalen-1-yloxythiolane 1,1-dioxide
CID 62113334
5-(1,1-dioxothiolan-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65455408
3-(1,1-dioxothiolan-3-yl)oxy-4-methylaniline
CID 61058879
1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanamine
CID 54914959
1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanol
CID 54914608
3-[2-(bromomethyl)phenoxy]thiolane 1,1-dioxide
CID 61058893
1-[2-(1,1-dioxothiolan-3-yl)oxy-3-methylphenyl]-N-methylmethanamine
CID 112608470
2-chloro-6-(1,1-dioxothiolan-3-yl)oxybenzaldehyde
CID 54914558
(3R)-3-(4-methylphenoxy)thiolane 1,1-dioxide
CID 7102407
4-(2,3-dimethylphenoxy)piperidine
CID 24694567
2-(1,1-dioxothiolan-3-yl)oxy-5-methylaniline
CID 61313611
1-[2-(1,1-dioxothiolan-3-yl)oxy-4-methylphenyl]ethanone
CID 63651713

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide?
The IUPAC name of 3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide (CID 83381393) is 3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide?
The canonical SMILES for 3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide is Cc1cccc(OC2CCS(=O)(=O)C2)c1C.
What is the InChIKey of 3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide?
The InChIKey is NIKWTKFXFIGLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3S/c1-9-4-3-5-12(10(9)2)15-11-6-7-16(13,14)8-11/h3-5,11H,6-8H2,1-2H3.
What are the key properties of 3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide?
3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide has a molecular weight of 240.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)thiolane 1,1-dioxide is sourced from PubChem (CID 83381393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).