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3-Methyl-1,3-Benzothiazol-2-One
[CAS# 2786-62-1]

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Identification
Name 3-Methyl-1,3-Benzothiazol-2-One
Synonyms St5437351; Ao-436/40182483; 460281_Aldrich
Molecular Structure CAS#: 2786-62-1, 3-Methyl-1,3-Benzothiazol-2-One
Molecular Formula C8H7NOS
Molecular Weight 165.21
CAS Registry Number 2786-62-1
SMILES C1=CC=C2C(=C1)SC(N2C)=O
InChI 1S/C8H7NOS/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3
InChIKey LSMMRJUHLKJNLR-UHFFFAOYSA-N
Properties
Density 1.316g/cm3 (Cal.)
Boiling point 294.308°C at 760 mmHg (Cal.)
Flash point 131.793°C (Cal.)
Safety Data
SDS Available
References
(1) Over et al.. Natural-product-derived fragments for fragment-based ligand discovery, Nature Chemistry, 2012
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List of Reports Available for 3-Methyl-1,3-Benzothiazol-2-One
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