(2,4-Dimethylthiazol-5-YL)boronic acid
Basic information
- CAS
936361-37-4- Standard SMILES
Cc1nc(C)c(B(O)O)s1- InChIKey
HDKUYVMTVVOHFK-UHFFFAOYSA-N- Molecular formula
- C5H8BNO2S
- Average molar mass
- 157 g/mol
- Monoisotopic mass
- 157.0368798
Names & identifiers
- Preferred name
- (2,4-Dimethylthiazol-5-YL)boronic acid
- IUPAC
- (2,4-dimethyl-1,3-thiazol-5-yl)boronic acid
- English name
- (2,4-Dimethylthiazol-5-yl)boronic acid
- Molecular formula
- C5H8BNO2S
- Molecular weight
- 157
Names & synonyms
936361-37-4(2,4-DIMETHYLTHIAZOL-5-YL)BORONIC ACID(2,4-Dimethyl-1,3-thiazol-5-yl)boronic acid2,4-dimethylthiazole-5-boronic acid2,4-Dimethylthiazol-5-ylboronic2,4-dimethylthiazol-5-ylboronic acidSCHEMBL958478DTXSID00697611HDKUYVMTVVOHFK-UHFFFAOYSA-NMFCD13190430AB92956(dimethyl-1,3-thiazol-5-yl)boronic acid
Show more names
Boronic acid, B-(2,4-dimethyl-5-thiazolyl)-
DB-079638(2,4-DIMETHYLTHIAZOL-5-YL)BORONICACIDEN300-171010
Database identifiers
- CAS
936361-37-4- PubChem CID
- 53420344
- DTXSID
DTXSID00697611
Properties
Computed structural properties
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 328.7 · 328.7±44.0 °C(Predicted)
- Density
- 1.28 · 1.28
- storage temp.
- Store at Room Tem.
- pka
- 7.11 · 7.11±0.58(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2934100090 · 2934100090
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
- 2934100090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
3 records
Compound notes
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