2-([(3,5-DIMETHYLISOXAZOL-4-YL)METHYL]THIO)NICOTINIC ACID

CAS No.
851903-45-2
CCD No.
CCD00549121
Formula
C12 H12 N2 O3 S
MolWeight
264.304

Basic Information

Product Name: 2-([(3,5-DIMETHYLISOXAZOL-4-YL)METHYL]THIO)NICOTINIC ACID
CAS: 851903-45-2
English Synonyms: 2-([(DIMETHYL-1,2-OXAZOL-4-YL)METHYL]SULFANYL)PYRIDINE-3-CARBOXYLIC ACID ; 2-([(3,5-DIMETHYLISOXAZOL-4-YL)METHYL]THIO)NICOTINIC ACID
MDL Number.: MFCD06655262
H bond acceptor: 5
H bond donor: 1
Smile: Cc1c(c(on1)C)CSc2c(cccn2)C(=O)O
InChi: InChI=1S/C12H12N2O3S/c1-7-10(8(2)17-14-7)6-18-11-9(12(15)16)4-3-5-13-11/h3-5H,6H2,1-2H3,(H,15,16)
InChiKey: InChIKey=NGIXNFYAERHBRC-UHFFFAOYSA-N

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