1-Methyl-3-((2-methylpropyl)thio)benzene

Base Information

• Chemical Name: 1-Methyl-3-((2-methylpropyl)thio)benzene
• CAS No.: 54576-36-2
• Molecular Formula: C11H16S
• Molecular Weight: 180.3097
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70203001
• Nikkaji Number: J101.844B
• Wikidata: Q83076368
• Mol file: 54576-36-2.mol

Synonyms:1-METHYL-3-((2-METHYLPROPYL)THIO)BENZENE;54576-36-2;Benzene, 1-methyl-3-[(2-methylpropyl)thio]-;Isobutyl(m-tolyl) sulfide;SCHEMBL18739045;DTXSID70203001;1-(Isobutylsulfanyl)-3-methylbenzene #;1-METHYL-3-[(2-METHYLPROPYL)SULFANYL]BENZENE

Chemical Property of 1-Methyl-3-((2-methylpropyl)thio)benzene

Chemical Property:

• Vapor Pressure: 0.0323mmHg at 25°C
• Refractive Index: 1.533
• Boiling Point: 251.5 °C at 760 mmHg
• Flash Point: 104 °C
• PSA: 25.30000
• Density: 0.96g/cm³
• LogP: 3.74310
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 180.09727168
• Heavy Atom Count: 12
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)SCC(C)C