RefChem:164696
4-methylbenzenesulfonate;1-methyl-2-methylsulfanylbenzo[e][1,3]benzothiazol-1-ium
Also Known As: 1-Methyl-2-(methylthio)naphtho(1,2-d)-thiazolium 4-methylbenzenesulfonate|Naphtho(1,2-d)thiazolium, 1-methyl-2-(methylthio)-, 4-methylbenzenesulfonate (1:1)|Naphtho(1,2-d)thiazolium, 1-methyl-2-(methylthio)-, salt with 4-methylbenzenesulfonic acid (1:1)|Naphtho[1,2-d]thiazolium, 1-methyl-2-(methylthio)-, salt with 4-methylbenzenesulfonic acid (1:1)|4-methylbenzenesulfonate; 1-methyl-2-methylsulfanylbenzo[e][1,3]benzothiazol-1-ium|Naphtho[1,2-d]thiazolium, 1-methyl-2-(methylthio)-, 4-methylbenzenesulfonate (1:1)|1-METHYL-2-(METHYLSULFANYL)NAPHTHO[1,2-D][1,3]THIAZOL-1-IUM 4-METHYLBENZENE-1-SULFONATE
| Molecular Formula | C20H19NO3S3 |
|---|---|
| Molecular Weight | 417.0527 g/mol |
| LogP | 4.50002 |
| Topological Polar Surface Area | 61.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.0527 |
| Monoisotopic Mass | 417.0527 |
| Heavy Atoms | 27 |
| Complexity | 1196.5878 |
Chemical Identifiers
| CAS Number | 63149-20-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)SC |
Product Overview
RefChem:164696 (CAS 63149-20-2), with molecular formula C20H19NO3S3 and molecular weight 417.0527 g/mol. IUPAC: 4-methylbenzenesulfonate;1-methyl-2-methylsulfanylbenzo[e][1,3]benzothiazol-1-ium.