5-IODO-2-[[[(1-OXOHEXYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

CAS No.
535957-50-7
CCD No.
CCD00397058
Formula
C14 H17 I N2 O3 S
MolWeight
420.265

Basic Information

Product Name: 5-IODO-2-[[[(1-OXOHEXYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 535957-50-7
English Synonyms: BENZOIC ACID, 5-IODO-2-[[[(1-OXOHEXYL)AMINO]THIOXOMETHYL]AMINO]- ; 5-IODO-2-[[[(1-OXOHEXYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
MDL Number.: MFCD03572456
H bond acceptor: 5
H bond donor: 3
Smile: CCCCCC(=O)NC(=S)Nc1ccc(cc1C(=O)O)I
InChi: InChI=1S/C14H17IN2O3S/c1-2-3-4-5-12(18)17-14(21)16-11-7-6-9(15)8-10(11)13(19)20/h6-8H,2-5H2,1H3,(H,19,20)(H2,16,17,18,21)
InChiKey: InChIKey=VSCJAIDRFTZRHK-UHFFFAOYSA-N

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