Basic information
- CAS
37109-78-7- Standard SMILES
CCCCCCSc1ncnc2nc[nH]c12- InChIKey
DPEYVWBFEYXFIT-UHFFFAOYSA-N- Molecular formula
- C11H16N4S
- Average molar mass
- 236.34 g/mol
- Monoisotopic mass
- 236.1095677
Names & identifiers
- Preferred name
- 6-(Hexylthio)-1H-purine
- IUPAC
- 6-hexylsulfanyl-7H-purine
- English name
- 6-(hexylthio)-1H-purine
- Molecular formula
- C11H16N4S
- Molecular weight
- 236.33654
Names & synonyms
6-(Hexylthio)-1H-purine37109-78-76-(Hexylthio)-9H-purineNSC-227761H-Purine, 6-(hexylthio)-6-(hexylsulfanyl)-7H-purineAI3-26352EINECS 253-352-46-Hexylmercaptopurine6-Hexylthio-9H-purine3BZF6L8NT76-n-HEXYLMERCAPTOPURINE
Show more names
SCHEMBL8826229DTXSID90190606NSC22776NSC 227761H-Purine (9CI), 6-(hexylthio)-DB-263716NS00030159
Database identifiers
- CAS
37109-78-7- PubChem CID
- 95191
- DTXSID
DTXSID90190606- UNII
- 3BZF6L8NT7
- EC Number
- 253-352-4
- Nikkaji
- J260.739E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 202
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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