50681-00-0
8-ETHYL-1H-PURINE-2(3H)-THIONE
Name8-ETHYL-1H-PURINE-2(3H)-THIONE
1Identification
【Name】
8-ETHYL-1H-PURINE-2(3H)-THIONE
【CAS】
【MDL】
MFCD22207732
【English Synonyms】
【Formula】
C7 H8 N4 S
【MolWeight】
180.234
【Inchi】
InChI=1S/C7H8N4S/c1-2-5-9-4-3-8-7(12)11-6(4)10-5/h3H,2H2,1H3,(H2,8,9,10,11,12)
【InChIKey】
InChIKey=FMFGHKLXWTVVIH-UHFFFAOYSA-N
【SMILES】
CCc1nc-2c[nH]c(=S)[nH]c2n1
【MOL File】
8-ETHYL-1H-PURINE-2(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-ETHYL-1H-PURINE-2(3H)-THIONE.cml