Basic information
- CAS
5418-10-0- Standard SMILES
CSc1ncnc2[nH]ncc12- InChIKey
BLEJJILOVWBLBZ-UHFFFAOYSA-N- Molecular formula
- C6H6N4S
- Average molar mass
- 166.21 g/mol
- Monoisotopic mass
- 166.03131738
Names & identifiers
- Preferred name
- 4-(Methylthio)-1H-pyrazolo(3,4-d)pyrimidine
- IUPAC
- 4-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine
- English name
- 4-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine
- Molecular formula
- C6H6N4S
- Molecular weight
- 166.20364
Names & synonyms
5418-10-04-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidine4-(Methylthio)-1H-pyrazolo(3,4-d)pyrimidineEINECS 226-523-6DTXSID40202526NSC 4938NSC 4952RefChem:97503DTXCID70125017226-523-64-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidineMLS002637780
Show more names
4-(Methylmercapto)-pyrazole[3,4-d]pyrimidine
NSC-4938NSC-49521H-Pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-NSC4938JZ4UXQ8B8U4-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidineCHEMBL118102SCHEMBL5068437
Database identifiers
- CAS
5418-10-0- PubChem CID
- 79452
- DTXSID
DTXSID40202526- ChEMBL
CHEMBL118102- UNII
- JZ4UXQ8B8U
- EC Number
- 226-523-6
- Nikkaji
- J217.996B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
南京普锐达医药科技有限公司15905142898 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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