Basic information
- CAS
199464-76-1- Standard SMILES
COc1cc2nc(C)sc2cc1SC- InChIKey
GWLKCQDLVAXDDK-UHFFFAOYSA-N- Molecular formula
- C10H11NOS2
- Average molar mass
- 225.3 g/mol
- Monoisotopic mass
- 225.02820632
Names & identifiers
- Preferred name
- 5-Methoxy-2-methyl-6-(methylthio)benzo[d]thiazole
- IUPAC
- 5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazole
- English name
- Benzothiazole, 5-methoxy-2-methyl-6-(methylthio)- (9CI)
- Molecular formula
- C10H11NOS2
- Molecular weight
- 225.33
Names & synonyms
5-Methoxy-2-methyl-6-(methylthio)benzo[d]thiazole199464-76-15-methoxy-2-methyl-6-(methylsulfanyl)-1,3-benzothiazole5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazoleBenzothiazole, 5-methoxy-2-methyl-6-(methylthio)- (9CI)2-methyl-5-methoxy-6-methylthio benzothiazoleMLS000052995CHEMBL1606656DTXSID60353529HMS2353F11STK004034AKOS000546989
Show more names
Benzothiazole, 5-methoxy-2-methyl-6-(methylthio)-
SMR000068951DB-333077EN300-236284595-methoxy-2-methyl-6-(methylthio)-1,3-benzothiazole
Database identifiers
- CAS
199464-76-1- PubChem CID
- 744441
- DTXSID
DTXSID60353529- ChEMBL
CHEMBL1606656
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 350.4 · 350.4±27.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.46 · 2.46±0.10(Predicted)
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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