6-(3-Methyl-2-butenylthio)purine
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Basic information
- CAS
14671-21-7- Standard SMILES
CC(C)=CCSc1ncnc2nc[nH]c12- InChIKey
BSUUFNRTDLFAEB-UHFFFAOYSA-N- Molecular formula
- C10H12N4S
- Average molar mass
- 220.3 g/mol
- Monoisotopic mass
- 220.07826757
Names & identifiers
- Preferred name
- 6-(3-Methyl-2-butenylthio)purine
- IUPAC
- 6-(3-methylbut-2-enylsulfanyl)-7H-purine
- English name
- 6-[(3-Methyl-2-butenyl)thio]-1H-purine
- Molecular formula
- C10H12N4S
- Molecular weight
- 220.29
Names & synonyms
Purine, 6-[(3-methyl-2-butenyl)thio]-6-(3-Methyl-2-butenylthio)purine1H-Purine, 6-[(3-methyl-2-butenyl)thio]-DTXSID603366759H-Purine, 6-[(3-methyl-2-buten-1-yl)thio]-Purine, 6-((3-methyl-2-butenyl)thio)-1H-Purine, 6-((3-methyl-2-butenyl)thio)-9H-Purine, 6-((3-methyl-2-buten-1-yl)thio)-RefChem:306575DTXCID50287763BSUUFNRTDLFAEB-UHFFFAOYSA-N14671-21-7
Show more names
6-[(3-Methyl-2-butenyl)thio]-1H-purine6-(3-methylbut-2-enylsulfanyl)-7H-purine6-prenylsulfanylpurineNSC89396NSC-893966-[(3-Methyl-2-butenyl)sulfanyl]-9H-purine6-[(3-Methyl-2-butenyl)sulfanyl]-9H-purine #AK-105/40833146
Database identifiers
- CAS
14671-21-7- PubChem CID
- 535374
- DTXSID
DTXSID60336675- Nikkaji
- J120.787C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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