Basic information
- CAS
6288-89-7- Standard SMILES
CSc1nc(SC)c2cn[nH]c2n1- InChIKey
PSGYPWNZPPVWPM-UHFFFAOYSA-N- Molecular formula
- C7H8N4S2
- Average molar mass
- 212.3 g/mol
- Monoisotopic mass
- 212.01903826
Names & identifiers
- Preferred name
- 4,6-Bis(methylthio)-1H-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 4,6-bis(methylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidine
- English name
- 4,6-Bis(methylthio)-1H-pyrazolo[3,4-d]pyrimidine
- Molecular formula
- C7H8N4S2
- Molecular weight
- 212.3
Names & synonyms
6288-89-74,6-Bis(methylthio)-1H-pyrazolo[3,4-d]pyrimidine4,6-bis(methylsulfanyl)-1h-pyrazolo[3,4-d]pyrimidineNSC11589SCHEMBL6336544SCHEMBL6336545DTXSID90978628PSGYPWNZPPVWPM-UHFFFAOYSA-NNSC-11589BS-29237CS-00790264,6-dimethylmercaptopyrazolo[3,4-d]pyrimidine
Show more names
1H-Pyrazolo[3,4-d]pyrimidine, 4,6-bis(methylthio)-4,6-Bis-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine
4,6-bismethylmercapto-pyrazolo[3,4-d]pyrimidine4,6-Bis(methylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidine
Database identifiers
- CAS
6288-89-7- PubChem CID
- 223695
- DTXSID
DTXSID90978628- Nikkaji
- J246.511F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
Chemistry & industry
Suppliers3 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
1 records
Compound notes
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