Basic Information |
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Product Name: | 8-((2-HYDROXYETHYL)THIO)THEOBROMINE |
CAS: | 113512-14-4 |
English Synonyms: | 8-((2-HYDROXYETHYL)THIO)THEOBROMINE |
MDL Number.: | MFCD01682403 |
H bond acceptor: | 7 |
H bond donor: | 2 |
Smile: | Cn1c2c(=O)[nH]c(=O)n(c2nc1SCCO)C |
InChi: | InChI=1S/C9H12N4O3S/c1-12-5-6(10-9(12)17-4-3-14)13(2)8(16)11-7(5)15/h14H,3-4H2,1-2H3,(H,11,15,16) |
InChiKey: | InChIKey=ONYAHIBWAGPFSO-UHFFFAOYSA-N |
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