Basic information
- CAS
72023-75-7- Standard SMILES
Brc1cnc2nsnc2c1- InChIKey
YCXWRJNHRLSHIA-UHFFFAOYSA-N- Molecular formula
- C5H2BrN3S
- Average molar mass
- 216.06 g/mol
- Monoisotopic mass
- 214.91528
Names & identifiers
- Preferred name
- 6-Bromo[1,2,5]thiadiazolo[3,4-b]pyridine
- IUPAC
- 6-bromo-[1,2,5]thiadiazolo[3,4-b]pyridine
- English name
- 6-Bromo[1,2,5]thiadiazolo[3,4-b]pyridine
- Molecular formula
- C5H2BrN3S
- Molecular weight
- 216.06
Names & synonyms
72023-75-76-bromo-[1,2,5]thiadiazolo[3,4-b]pyridine6-Bromo[1,2,5]thiadiazolo[3,4-b]pyridineMFCD08446790NSC624915[1,2,5]Thiadiazolo[3,4-b]pyridine, 6-bromo-[1,2,5]Thiadiazolo[3,4-b]pyridine,6-bromo-SCHEMBL2546878DTXSID40326978YCXWRJNHRLSHIA-UHFFFAOYSA-NXCA02375AC6683
Show more names
SBB054683AKOS026675839NSC-624915SY039605TS-030836-Bromo-1,5-thiadiazolo[3,4-c]pyridineDB-3690106-bromo-1,2,5-thiadiazolo[3,4-b]pyridine
Database identifiers
- CAS
72023-75-7- PubChem CID
- 361693
- DTXSID
DTXSID40326978
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 139.5 · 139.5-140.0 °C(Solv: hexane (110-54-3))
- Boiling point
- 265.4 · 265.4±20.0 °C(Predicted)
- Density
- 1.984 · 1.984±0.06 g/cm3(Predicted)
- pka
- -4.24 · -4.24±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
郑州药领医药科技有限公司13526569071 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
Related reactions
2 records
Compound notes
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