Cas no 648906-19-8 (Benzene, 5-bromo-1,3-dimethyl-2-(methylthio)-)

5-Bromo-1,3-dimethyl-2-(methylthio)benzene is a brominated aromatic compound featuring a methylthio substituent, offering utility as an intermediate in organic synthesis. Its distinct substitution pattern—bromo, methyl, and methylthio groups—enhances reactivity for selective functionalization, making it valuable in pharmaceutical and agrochemical applications. The bromine atom facilitates cross-coupling reactions (e.g., Suzuki or Heck), while the methylthio group can serve as a directing or protecting group. The compound's stability under standard conditions ensures ease of handling and storage. Its structural features enable precise modifications, supporting the development of complex molecules in medicinal chemistry and materials science. Purity and consistency are critical for reproducible results in research and industrial processes.

Benzene, 5-bromo-1,3-dimethyl-2-(methylthio)- structure

648906-19-8 structure

Product Name:Benzene, 5-bromo-1,3-dimethyl-2-(methylthio)-

CAS No:648906-19-8

MF:C₉H₁₁BrS

MW:231.152640581131

CID:412804

PubChem ID:68519501

Update Time:2025-11-02

Benzene, 5-bromo-1,3-dimethyl-2-(methylthio)- Chemical and Physical Properties

Names and Identifiers

- Benzene, 5-bromo-1,3-dimethyl-2-(methylthio)-
- 5-bromo-1,3-dimethyl-2-methylsulfanylbenzene
- SCHEMBL3121456
- 648906-19-8
- CS-0193211
- GDXLVKRPLAVSAO-UHFFFAOYSA-N
- DTXSID20738510
- 5-Bromo-1,3-dimethyl-2-(methylsulfanyl)benzene
- (4-bromo-2,6-dimethylphenyl)(methyl)sulfane
- 5-bromo-1,3-dimethyl-2-methylsulfanyl-benzene
- Inchi： 1S/C9H11BrS/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5H,1-3H3
- InChI Key： GDXLVKRPLAVSAO-UHFFFAOYSA-N
- SMILES： BrC1C=C(C)C(=C(C)C=1)SC

Computed Properties

Exact Mass: 229.97653
Monoisotopic Mass: 229.97648g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 11
Rotatable Bond Count: 1
Complexity: 115
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.9
Topological Polar Surface Area: 25.3?2

Experimental Properties

PSA: 0

Benzene, 5-bromo-1,3-dimethyl-2-(methylthio)- Pricemore >>

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Aaron	AR01JB4O-1g	Benzene, 5-bromo-1,3-dimethyl-2-(methylthio)-	648906-19-8	95%	1g	$254.00	2025-02-17
Aaron	AR01JB4O-5g	Benzene, 5-bromo-1,3-dimethyl-2-(methylthio)-	648906-19-8	95%	5g	$761.00	2025-02-17