2-[[[1,1-DIMETHYL-2-(METHYLTHIO)ETHYL]AMINO]CARBONYL]-3-IODO-BENZOIC ACID

CAS No.
866639-19-2
CCD No.
CCD03027718
Formula
C13 H16 I N O3 S
MolWeight
393.239

Basic Information

Product Name: 2-[[[1,1-DIMETHYL-2-(METHYLTHIO)ETHYL]AMINO]CARBONYL]-3-IODO-BENZOIC ACID
CAS: 866639-19-2
English Synonyms: 2-[[[1,1-DIMETHYL-2-(METHYLTHIO)ETHYL]AMINO]CARBONYL]-3-IODO-BENZOIC ACID
MDL Number.: MFCD16620729
H bond acceptor: 4
H bond donor: 2
Smile: CC(C)(CSC)NC(=O)c1c(cccc1I)C(=O)O
InChi: InChI=1S/C13H16INO3S/c1-13(2,7-19-3)15-11(16)10-8(12(17)18)5-4-6-9(10)14/h4-6H,7H2,1-3H3,(H,15,16)(H,17,18)
InChiKey: InChIKey=IQHKJYNUOCOPIS-UHFFFAOYSA-N

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