Basic information
- CAS
52172-12-0- Standard SMILES
C=C(C)CCNc1nc(=S)[nH]c2nc[nH]c12- InChIKey
ILOIORKOGYBHDS-UHFFFAOYSA-N- Molecular formula
- C10H13N5S
- Average molar mass
- 235.31 g/mol
- Monoisotopic mass
- 235.08916661
Names & identifiers
- Preferred name
- 6-[(3-Methylbut-3-en-1-yl)amino]-3,7-dihydro-2H-purine-2-thione
- IUPAC
- 6-(3-methylbut-3-enylamino)-3,7-dihydropurine-2-thione
- English name
- 2-MERCAPTO-N6-ISOPENTENYLADENINE (2S-iP)
- Molecular formula
- C10H13N5S
- Molecular weight
- 235.31
Names & synonyms
CTK4J5517SCHEMBL30150726DTXSID704696056-[(3-Methylbut-3-en-1-yl)amino]-3,7-dihydro-2H-purine-2-thione2-MERCAPTO-N6-ISOPENTENYLADENINE (2S-iP)2H-Purine-2-thione, 1,3-dihydro-6-[(3-methyl-2-buten-1-yl)amino]-
Database identifiers
- CAS
52172-12-0- PubChem CID
- 11622786
- DTXSID
DTXSID70469605
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Boiling point
- 345.7 · 345.7±52.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 5.96 · 5.96±0.40(Predicted)
Chemistry & industry
Applications
Uses2-Mercapto-N6-Isopentenyladenine can be used as reagent/reactant for synthetic preparation and reactions of cytokinin glucuronides for use as selective agents in transformation of plant tissue.
Suppliers1 total
青岛艾弗斯特科贸有限公司—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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