1-bromo-4-methyl-2-(4-methylphenyl)sulfinylbenzene

C14H13BrOS — CID 138683224

IUPAC1-bromo-4-methyl-2-(4-methylphenyl)sulfinylbenzene
SMILESCc1ccc(S(=O)c2cc(C)ccc2Br)cc1
InChIInChI=1S/C14H13BrOS/c1-10-3-6-12(7-4-10)17(16)14-9-11(2)5-8-13(14)15/h3-9H,1-2H3
InChIKeyULLKSRJUGXWSBY-UHFFFAOYSA-N
MW309.23 g/mol
LogP4.23
Rot. Bonds2

About 1-bromo-4-methyl-2-(4-methylphenyl)sulfinylbenzene

1-bromo-4-methyl-2-(4-methylphenyl)sulfinylbenzene (PubChem CID 138683224) has the molecular formula C14H13BrOS and a molecular weight of 309.23 g/mol. Its IUPAC name is 1-bromo-4-methyl-2-(4-methylphenyl)sulfinylbenzene.

Molecular Properties

Compound Name1-bromo-4-methyl-2-(4-methylphenyl)sulfinylbenzene
PubChem CID138683224
Molecular FormulaC14H13BrOS
Molecular Weight309.23 g/mol
Exact Mass307.99
IUPAC Name1-bromo-4-methyl-2-(4-methylphenyl)sulfinylbenzene
SMILESCc1ccc(S(=O)c2cc(C)ccc2Br)cc1
InChIInChI=1S/C14H13BrOS/c1-10-3-6-12(7-4-10)17(16)14-9-11(2)5-8-13(14)15/h3-9H,1-2H3
InChIKeyULLKSRJUGXWSBY-UHFFFAOYSA-N
XLogP4.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methyl-2-(4-methylphenyl)sulfinylbenzene?
The IUPAC name of 1-bromo-4-methyl-2-(4-methylphenyl)sulfinylbenzene (CID 138683224) is 1-bromo-4-methyl-2-(4-methylphenyl)sulfinylbenzene.
What is the SMILES notation for 1-bromo-4-methyl-2-(4-methylphenyl)sulfinylbenzene?
The canonical SMILES for 1-bromo-4-methyl-2-(4-methylphenyl)sulfinylbenzene is Cc1ccc(S(=O)c2cc(C)ccc2Br)cc1.
What is the InChIKey of 1-bromo-4-methyl-2-(4-methylphenyl)sulfinylbenzene?
The InChIKey is ULLKSRJUGXWSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrOS/c1-10-3-6-12(7-4-10)17(16)14-9-11(2)5-8-13(14)15/h3-9H,1-2H3.
What are the key properties of 1-bromo-4-methyl-2-(4-methylphenyl)sulfinylbenzene?
1-bromo-4-methyl-2-(4-methylphenyl)sulfinylbenzene has a molecular weight of 309.23 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methyl-2-(4-methylphenyl)sulfinylbenzene is sourced from PubChem (CID 138683224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).