1-Butoxy-2-isothiocyanatobenzene

Base Information

• Chemical Name: 1-Butoxy-2-isothiocyanatobenzene
• CAS No.: 141184-30-7
• Molecular Formula: C11H13 N O S
• Molecular Weight: 207.29202
• DSSTox Substance ID: DTXSID20404248
• Mol file: 141184-30-7.mol

Synonyms:1-butoxy-2-isothiocyanatobenzene;141184-30-7;Benzene, 1-butoxy-2-isothiocyanato- (9CI);Benzene,1-butoxy-2-isothiocyanato-;butoxyphenylisothiocyanate;SCHEMBL9362379;DTXSID20404248;AKOS003211156

Chemical Property of 1-Butoxy-2-isothiocyanatobenzene

Chemical Property:

• PSA: 53.68000
• LogP: 3.59980
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 207.07178521
• Heavy Atom Count: 14
• Complexity: 202

Purity/Quality:

1-BUTOXY-2-ISOTHIOCYANATO-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=CC=C1N=C=S