| CAS Number | 101078-51-7 |
| Catalog Number | AG0003O2(AGN-PC-00N8FX) |
| Chemical Name | 6-Methoxy-2-p-tolylbenzo[d]thiazole |
| IUPAC Name | 6-methoxy-2-(4-methylphenyl)-1,3-benzothiazole |
| InChI | InChI=1S/C15H13NOS/c1-10-3-5-11(6-4-10)15-16-13-8-7-12(17-2)9-14(13)18-15/h3-9H,1-2H3 |
| InChI Key | HYPBHVPYFUNVJM-UHFFFAOYSA-N |
| MDL Number | MFCD17211091 |
| Molecular Formula | C15H13NOS |
| Molecular Weight | 255.3348 |
| SMILES | CC1=CC=C(C2=NC3=CC=C(OC)C=C3S2)C=C1 |
| Synonyms | 6-Methoxy-2-(p-tolyl)benzo[d]thiazole,
101078-51-7,
6-methoxy-2-p-tolylbenzo[d]thiazole,
Benzothiazole, 6-methoxy-2-(4-methylphenyl)-,
ACMC-20m44s,
CTK0D9790,
KS-00000TDC,
DTXSID20544714,
MFCD17211091,
AKOS026674218,
ZINC196139591,
DS-9977,
AK199093,
2-(4-Methylphenyl)-6-methoxybenzothiazole,
6-Methoxy-2-(4-methylphenyl)-1,3-benzothiazole,
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| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.335g/mol |
| Monoisotopic Mass | 255.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number