| Identification | Back Directory | [Name]
3-METHYL-2(3H)-BENZOTHIAZOLONE | [CAS]
2786-62-1 | [Synonyms]
3-METHYL-2(3H)-BENZOTHIAZOLONE
3-Methyl-3H-benzothiazol-2-one
3-methyl-1,3-benzothiazol-2-one
2(3H)-Benzothiazolone, 3-methyl-
3-Methylbenzo[d]thiazol-2(3H)-one
3-METHYL-2(3H)-BENZOTHIAZOLONE 98%
3-METHYL-1,3-BENZOTHIAZOL-2(3H)-ONE
3-Methyl-(2H)benzothiazolone, GC 98% | [Molecular Formula]
C8H7NOS | [MDL Number]
MFCD00022914 | [MOL File]
2786-62-1.mol | [Molecular Weight]
165.21 |
| Chemical Properties | Back Directory | [Melting point ]
74-77 °C (lit.) | [Boiling point ]
130 °C(Press: 0.5 Torr) | [density ]
1.315±0.06 g/cm3(Predicted) | [pka]
-1.26±0.20(Predicted) | [InChI]
1S/C8H7NOS/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3 | [InChIKey]
LSMMRJUHLKJNLR-UHFFFAOYSA-N | [SMILES]
CN1C(=O)Sc2ccccc12 |
| Hazard Information | Back Directory | [Uses]
3-Methyl-2(3H)-benzothiazolone may be used for the synthesis of 2,3-dihydro-3-methyl-2- oxobenzo[d]oxazole-6-carbaldehyde and the 2,3-dihydro-3-methyl-2-oxobenzo[d]thiazole-6-carbaldehyde. It may be used for the synthesis of imidazole derivatives having 2(3H)-benzothiazolone moiety, which are potential antifungal agents. | [Synthesis Reference(s)]
Journal of Heterocyclic Chemistry, 5, p. 769, 1968 DOI: 10.1002/jhet.5570050605 | [General Description]
3-Methyl-2(3H)-benzothiazolone is a five-membered heterocyclic compound. Its crystals belong to the orthorhombic crystal system and space group Pbca. |
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