8-((2-HYDROXYETHYL)THIO)THEOBROMINE

CAS No.
113512-14-4
CCD No.
CCD00239818
Formula
C9 H12 N4 O3 S
MolWeight
256.285

Basic Information

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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