2-Amino-5-bromobenzothiazole 3-oxide
Basic information
- CAS
1216671-97-4- Standard SMILES
N=c1sc2ccc(Br)cc2n1O- InChIKey
WGPVPIMXJCKFHM-UHFFFAOYSA-N- Molecular formula
- C7H5BrN2OS
- Average molar mass
- 245.1 g/mol
- Monoisotopic mass
- 243.9306
Names & identifiers
- Preferred name
- 2-Amino-5-bromobenzothiazole 3-oxide
- IUPAC
- 5-bromo-3-hydroxy-1,3-benzothiazol-2-imine
- English name
- 2-Amino-5-bromobenzothiazole 3-oxide
- Molecular formula
- C7H5BrN2OS
- Molecular weight
- 245.1
Names & synonyms
1216671-97-42-Amino-5-bromobenzothiazole 3-oxide2-Amino-5-bromobenzo[d]thiazole 3-oxide2-amino-5-bromo-1,3-benzothiazol-3-ium-3-olate5-bromo-3-hydroxy-1,3-benzothiazol-2-imine2-Benzothiazolamine, 5-bromo-, 3-oxideDTXSID00680922AKOS015854706DS-0635MB119102-Amino-5-bromobenzo[d]thiazole3-oxideDB-346794
Show more names
5-bromo-3-oxido-1,3-benzothiazol-3-ium-2-amine
5-Bromo-2-imino-1,3-benzothiazol-3(2H)-ol
Database identifiers
- CAS
1216671-97-4- PubChem CID
- 52987635
- DTXSID
DTXSID00680922
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 419.2 · 419.2±37.0 °C(Predicted)
- Density
- 2.04 · 2.04±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 1.2 · 1.20±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2934208090 · 2934208090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934208090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
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Compound notes
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