Basic Information |
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| Product Name： | 8-(ISOPENTYLTHIO)CAFFEINE |
| CAS： | 73747-35-0 |
| English Synonyms： | 8-(ISOPENTYLTHIO)CAFFEINE |
| MDL Number.： | MFCD01737723 |
| H bond acceptor： | 6 |
| H bond donor： | 0 |
| Smile： | CC(C)CCSc1nc2c(n1C)c(=O)n(c(=O)n2C)C |
| InChi： | InChI=1S/C13H20N4O2S/c1-8(2)6-7-20-12-14-10-9(15(12)3)11(18)17(5)13(19)16(10)4/h8H,6-7H2,1-5H3 |
| InChiKey： | InChIKey=MGAOAMZOLCYPSY-UHFFFAOYSA-N |
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