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Basic information
- CAS
5443-89-0- Standard SMILES
CCCCCSc1ncnc2nc[nH]c12- InChIKey
UDXMVJZRHSMPEJ-UHFFFAOYSA-N- Molecular formula
- C10H14N4S
- Average molar mass
- 222.31 g/mol
- Monoisotopic mass
- 222.09391764
Names & identifiers
- Preferred name
- 6-(Pentylthio)purine
- IUPAC
- 6-pentylsulfanyl-7H-purine
- English name
- 6-(pentylthio)-1H-purine
- Molecular formula
- C10H14N4S
- Molecular weight
- 222.30996
Names & synonyms
6-(Pentylthio)purine5443-89-01H-Purine, 6-(pentylthio)-6-AmylmercaptopurinePurine, 6-(pentylthio)-6-n-Amylmercaptopurine6-(pentylthio)-9H-purineEINECS 226-638-1NSC 198646-Amyl-mpPurine, 6-pentylthio-NSC-19864
Show more names
6-(pentylthio)-1H-purine
380934R16PDTXSID10202831UNII-380934R16P1H-PURINE,6-(PENTYLTHIO)-9H-PURINE, 6-(PENTYLTHIO)-RefChem:104112DTXCID401253221H-Purine, 6-(pentylthio)-(9CI)
Database identifiers
- CAS
5443-89-0- PubChem CID
- 79515
- DTXSID
DTXSID10202831- ChEMBL
CHEMBL259041- ChEBI
CHEBI:34465- UNII
- 380934R16P
- EC Number
- 226-638-1
- Nikkaji
- J210.482B
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- FDA UNII
- 380934 R16P · 380934R16P
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 6-(Pentylthio)-1H-purine is a thiopurine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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