927825-74-9
Product Name:
3-Iodo-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine
Formula:
C6H5IN4S
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H333:Acute toxicity,inhalation H360:Reproductive toxicity H373:Specific target organ toxicity, repeated exposure H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P281:Use personal protective equipment as required. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 292.10 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 291.92796 g/mol |
| Monoisotopic Mass | 291.92796 g/mol |
| Topological Polar Surface Area | 79.8 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 170 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |