2-[(2,4-DIMETHYLPHENYL)THIO]NICOTINIC ACID

CAS No.
852388-70-6
CCD No.
CCD00549186
Formula
C14 H13 N O2 S
MolWeight
259.328

Basic Information

Product Name: 2-[(2,4-DIMETHYLPHENYL)THIO]NICOTINIC ACID
CAS: 852388-70-6
English Synonyms: 2-[(2,4-DIMETHYLPHENYL)THIO]NICOTINIC ACID ; 2-[(2,4-DIMETHYLPHENYL)SULFANYL]PYRIDINE-3-CARBOXYLIC ACID
MDL Number.: MFCD06655329
H bond acceptor: 3
H bond donor: 1
Smile: Cc1ccc(c(c1)C)Sc2c(cccn2)C(=O)O
InChi: InChI=1S/C14H13NO2S/c1-9-5-6-12(10(2)8-9)18-13-11(14(16)17)4-3-7-15-13/h3-8H,1-2H3,(H,16,17)
InChiKey: InChIKey=NCGXUBLFJFDNMA-UHFFFAOYSA-N

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