52172-12-0
2-MERCAPTO-6-(3,3-DIMETHYLALLYLAMINO)PURINE
Name2-MERCAPTO-6-(3,3-DIMETHYLALLYLAMINO)PURINE
1Identification
【Name】
2-MERCAPTO-6-(3,3-DIMETHYLALLYLAMINO)PURINE
【CAS】
【MDL】
MFCD18641946
【English Synonyms】
【Formula】
C10 H13 N5 S
【MolWeight】
235.314
【Inchi】
InChI=1S/C10H13N5S/c1-6(2)3-4-11-8-7-9(13-5-12-7)15-10(16)14-8/h3,5H,4H2,1-2H3,(H3,11,12,13,14,15,16)
【InChIKey】
InChIKey=KHVZBRUYRHBJET-UHFFFAOYSA-N
【SMILES】
CC(=CCNc1c2c(nc[nH]2)nc(n1)S)C
【MOL File】
2-MERCAPTO-6-(3,3-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-MERCAPTO-6-(3,3-DIMETHYLALLYLAMINO)PURINE.cml