4-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine

HCID 340241
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Basic information

CAS
85426-79-5
Standard SMILES
CSc1nc(Cl)c2cn[nH]c2n1
InChIKey
XIGOZRPGXGIKFT-UHFFFAOYSA-N
Molecular formula
C6H5ClN4S
Average molar mass
200.65 g/mol
Monoisotopic mass
199.992345

Names & identifiers

Preferred name
4-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine
IUPAC
4-chloro-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine
English name
4-CHLORO-6-(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
Molecular formula
C6H5ClN4S
Molecular weight
200.65

Names & synonyms

85426-79-54-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine4-chloro-6-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidineMFCD097020364-chloro-6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-6-(methylthio)-NSC370397SCHEMBL1951054SCHEMBL1951056DTXSID50321116XIGOZRPGXGIKFT-UHFFFAOYSA-NAKOS022186421
Show more names
4-Chloro-6-(methylthio)5-chloro-3-methylsulfanyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-t etraene
NSC-370397AS-69002SY112688DB-020161CS-0078588D84241F450427F812118

Database identifiers

CAS
85426-79-5
PubChem CID
340241
DTXSID
DTXSID50321116

Properties

Computed structural properties

XLogP
2
Topological polar surface area
79.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
Appearance
Light yellow to yellow Solid

Chemistry & industry

Upstream & downstream products

Suppliers34 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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