2-(3,4-Dimethoxyphenyl)benzothiazole

Base Information

• Chemical Name: 2-(3,4-Dimethoxyphenyl)benzothiazole
• CAS No.: 6638-45-5
• Molecular Formula: C15H13 N O2 S
• Molecular Weight: 271.33
• NSC Number: 48229
• DSSTox Substance ID: DTXSID20985022
• Nikkaji Number: J2.242.992B
• Wikidata: Q82972434
• ChEMBL ID: CHEMBL201610
• Mol file: 6638-45-5.mol

Synonyms:2-(3,4-Dimethoxyphenyl)benzothiazole;6638-45-5;2-(3,4-dimethoxyphenyl)-1,3-benzothiazole;Benzothiazole, 2-(3,4-dimethoxyphenyl)-;CHEMBL201610;NIOSH/DL3650000;2-(3,4-Dimethoxyphenyl)Benzo[D]Thiazol;DL36500000;NSC48229;2-(3,4-DIMETHOXY-PHENYL)-BENZOTHIAZOLE;SCHEMBL4799251;DTXSID20985022;AC6560;ARK100766;BDBM50293115;MFCD00993892;NSC-48229;STL497886;AKOS030211284;LS-40735;SY046137;2-(3,4-Dimethoxyphenyl)Benzo[D]Thiazole;A838684;A924134;Z50129049

Chemical Property of 2-(3,4-Dimethoxyphenyl)benzothiazole

Chemical Property:

• Vapor Pressure: 7.26E-07mmHg at 25°C
• Boiling Point: 419.7°C at 760 mmHg
• Flash Point: 207.6°C
• PSA: 59.59000
• Density: 1.235g/cm³
• LogP: 3.98050
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 271.06669983
• Heavy Atom Count: 19
• Complexity: 302

Purity/Quality:

99% ^*data from raw suppliers

2-(3,4-Dimethoxyphenyl)benzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)OC