Disodium 2-(4-amino-3-sulphonatophenyl)-6-methylbenzothiazole-7-sulphonate

Base Information

• Chemical Name: Disodium 2-(4-amino-3-sulphonatophenyl)-6-methylbenzothiazole-7-sulphonate
• CAS No.: 52044-08-3
• Molecular Formula: C14H12 N2 O6 S3 . 2 Na
• Molecular Weight: 444.41354
• Hs Code.: 2934999090
• European Community (EC) Number: 257-623-8
• DSSTox Substance ID: DTXSID30200011
• Nikkaji Number: J279.431D
• Mol file: 52044-08-3.mol

Synonyms:52044-08-3;Disodium 2-(4-amino-3-sulphonatophenyl)-6-methylbenzothiazole-7-sulphonate;EINECS 257-623-8;C14H12N2O6S3.2Na;DTXSID30200011;C14-H12-N2-O6-S3.2Na;Disodium 2-(4-amino-3-sulfonatophenyl)-6-methylbenzothiazole-7-sulfonate;2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid disodium salt;7-Benzothiazolesulfonic acid, 2-(4-amino-3-sulfophenyl)-6-methyl-, disodium salt

Chemical Property of Disodium 2-(4-amino-3-sulphonatophenyl)-6-methylbenzothiazole-7-sulphonate

Chemical Property:

• PSA: 198.31000
• LogP: 4.40490
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 443.94963813
• Heavy Atom Count: 27
• Complexity: 674

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]