4-Methoxy-2(3H)-benzothiazolone

Base Information

• Chemical Name: 4-Methoxy-2(3H)-benzothiazolone
• CAS No.: 80567-66-4
• Molecular Formula: C₈H₇NO₂S
• Molecular Weight: 181.215
• Hs Code.: 29342000
• DSSTox Substance ID: DTXSID40509446
• Wikidata: Q72489187
• Mol file: 80567-66-4.mol

Synonyms:80567-66-4;4-Methoxy-2(3H)-benzothiazolone;4-Methoxybenzo[d]thiazol-2(3H)-one;4-methoxy-3H-1,3-benzothiazol-2-one;4-methoxy-1,3-benzothiazol-2(3H)-one;4-Methoxybenzo[d]thiazol-2-ol;4-methoxy-2,3-dihydro-1,3-benzothiazol-2-one;SCHEMBL5121204;DTXSID40509446;BOKIESUSRKISCV-UHFFFAOYSA-N;AMY15264;1-(AMMONIOOXY)PROPANECHLORIDE;MFCD09748564;AKOS006290974;DS-1116;FS-3156;AC-31696;SY059305;2-hydroxy-4-methoxybenzothiazole, AldrichCPR;CS-0019318;FT-0652967;A839950

Chemical Property of 4-Methoxy-2(3H)-benzothiazolone

Chemical Property:

• Refractive Index: 1.624
• PKA: 10.03±0.20(Predicted)
• PSA: 70.33000
• Density: 1.346 g/cm³
• LogP: 1.59820
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 181.01974964
• Heavy Atom Count: 12
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

4-Methoxybenzo[d]thiazol-2(3H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C(=CC=C1)SC(=O)N2