(4-bromo-2-propan-2-yloxyphenoxy)-tert-butyl-dimethyl-λ4-sulfane

C15H25BrO2S — CID 143355903

IUPAC(4-bromo-2-propan-2-yloxyphenoxy)-tert-butyl-dimethyl-λ4-sulfane
SMILESCC(C)Oc1cc(Br)ccc1OS(C)(C)C(C)(C)C
InChIInChI=1S/C15H25BrO2S/c1-11(2)17-14-10-12(16)8-9-13(14)18-19(6,7)15(3,4)5/h8-11H,1-7H3
InChIKeySOHOAAQDJMGCLY-UHFFFAOYSA-N
MW349.33 g/mol
LogP5.39
Rot. Bonds4

About (4-bromo-2-propan-2-yloxyphenoxy)-tert-butyl-dimethyl-λ4-sulfane

(4-bromo-2-propan-2-yloxyphenoxy)-tert-butyl-dimethyl-λ4-sulfane (PubChem CID 143355903) has the molecular formula C15H25BrO2S and a molecular weight of 349.33 g/mol. Its IUPAC name is (4-bromo-2-propan-2-yloxyphenoxy)-tert-butyl-dimethyl-λ4-sulfane.

Molecular Properties

Compound Name(4-bromo-2-propan-2-yloxyphenoxy)-tert-butyl-dimethyl-λ4-sulfane
PubChem CID143355903
Molecular FormulaC15H25BrO2S
Molecular Weight349.33 g/mol
Exact Mass348.08
IUPAC Name(4-bromo-2-propan-2-yloxyphenoxy)-tert-butyl-dimethyl-λ4-sulfane
SMILESCC(C)Oc1cc(Br)ccc1OS(C)(C)C(C)(C)C
InChIInChI=1S/C15H25BrO2S/c1-11(2)17-14-10-12(16)8-9-13(14)18-19(6,7)15(3,4)5/h8-11H,1-7H3
InChIKeySOHOAAQDJMGCLY-UHFFFAOYSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.33
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-propan-2-yloxyphenoxy)-tert-butyl-dimethyl-λ4-sulfane?
The IUPAC name of (4-bromo-2-propan-2-yloxyphenoxy)-tert-butyl-dimethyl-λ4-sulfane (CID 143355903) is (4-bromo-2-propan-2-yloxyphenoxy)-tert-butyl-dimethyl-λ4-sulfane.
What is the SMILES notation for (4-bromo-2-propan-2-yloxyphenoxy)-tert-butyl-dimethyl-λ4-sulfane?
The canonical SMILES for (4-bromo-2-propan-2-yloxyphenoxy)-tert-butyl-dimethyl-λ4-sulfane is CC(C)Oc1cc(Br)ccc1OS(C)(C)C(C)(C)C.
What is the InChIKey of (4-bromo-2-propan-2-yloxyphenoxy)-tert-butyl-dimethyl-λ4-sulfane?
The InChIKey is SOHOAAQDJMGCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrO2S/c1-11(2)17-14-10-12(16)8-9-13(14)18-19(6,7)15(3,4)5/h8-11H,1-7H3.
What are the key properties of (4-bromo-2-propan-2-yloxyphenoxy)-tert-butyl-dimethyl-λ4-sulfane?
(4-bromo-2-propan-2-yloxyphenoxy)-tert-butyl-dimethyl-λ4-sulfane has a molecular weight of 349.33 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-propan-2-yloxyphenoxy)-tert-butyl-dimethyl-λ4-sulfane is sourced from PubChem (CID 143355903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).