5-Bromo-2-(methylthio)benzo[d]thiazole
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Basic information
- CAS
203395-29-3- Standard SMILES
CSc1nc2cc(Br)ccc2s1- InChIKey
PSMLEPVOELTZAZ-UHFFFAOYSA-N- Molecular formula
- C8H6BrNS2
- Average molar mass
- 260.2 g/mol
- Monoisotopic mass
- 258.91250329
Names & identifiers
- Preferred name
- 5-Bromo-2-(methylthio)benzo[d]thiazole
- IUPAC
- 5-bromo-2-methylsulfanyl-1,3-benzothiazole
- English name
- 5-Bromo-2-(methylthio)benzo[d]thiazole
- Molecular formula
- C8H6BrNS2
- Molecular weight
- 260.17
Names & synonyms
5-Bromo-2-(methylthio)benzo[d]thiazole203395-29-35-Bromo-2-(methylthio)benzothiazole5-bromo-2-methylsulfanyl-1,3-benzothiazoleMFCD01935107Benzothiazole, 5-bromo-2-(methylthio)-SCHEMBL3468909DTXSID90384225AKOS0158346965-BROMO-2-(METHYLSULFANYL)-1,3-BENZOTHIAZOLEDS-17086SY317108
Show more names
5-bromo-2-(methylthio)-1,3-benzothiazoleDB-368348CS-0187108C73837F212297
Database identifiers
- CAS
203395-29-3- PubChem CID
- 2801271
- DTXSID
DTXSID90384225
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 358.5 · 358.5±34.0 °C(Predicted)
- Density
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 0.72 · 0.72±0.10(Predicted)
- form
- solid
- UNSPSC Code
- 12352200 · 12352200
Chemistry & industry
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Related reactions
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