3-methyl-2-(3-methylbenzoyl)-4H-1,4-benzothiazine-6-sulfonic acid structure
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Common Name | 3-methyl-2-(3-methylbenzoyl)-4H-1,4-benzothiazine-6-sulfonic acid | ||
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| CAS Number | 519054-96-7 | Molecular Weight | 361.43500 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C17H15NO4S2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 3-methyl-2-(3-methylbenzoyl)-4H-1,4-benzothiazine-6-sulfonic acid |
|---|---|
| Synonym | More Synonyms |
| Molecular Formula | C17H15NO4S2 |
|---|---|
| Molecular Weight | 361.43500 |
| Exact Mass | 361.04400 |
| PSA | 117.15000 |
| LogP | 5.09250 |
| InChIKey | JNRMQVHDRXCPEM-UHFFFAOYSA-N |
| SMILES | CC1=C(C(=O)c2cccc(C)c2)Sc2ccc(S(=O)(=O)O)cc2N1 |
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~68%
3-methyl-2-(3-m... CAS#:519054-96-7 |
| Literature: Gupta, Kalpana; Gupta, Vandana; Gupta, Rajni; Kumar Heterocyclic Communications, 2002 , vol. 8, # 5 p. 485 - 488 |
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~%
3-methyl-2-(3-m... CAS#:519054-96-7 |
| Literature: Gupta, Kalpana; Gupta, Vandana; Gupta, Rajni; Kumar Heterocyclic Communications, 2002 , vol. 8, # 5 p. 485 - 488 |
| Precursor 3 | |
|---|---|
| DownStream 0 | |
| 4H-1,4-Benzothiazine-6-sulfonic acid,3-methyl-2-(3-methylbenzoyl) |