3-(4-CYANOPYRIDIN-2-YLTHIO)BENZOIC ACID

CAS No.
888968-32-9
CCD No.
CCD01020031
Formula
C13 H8 N2 O2 S
MolWeight
256.284

Basic Information

Product Name: 3-(4-CYANOPYRIDIN-2-YLTHIO)BENZOIC ACID
CAS: 888968-32-9
English Synonyms: 3-[(4-CYANOPYRIDIN-2-YL)SULFANYL]BENZOIC ACID ; 3-(4-CYANOPYRIDIN-2-YLTHIO)BENZOIC ACID
MDL Number.: MFCD11113083
H bond acceptor: 4
H bond donor: 1
Smile: c1cc(cc(c1)Sc2cc(ccn2)C#N)C(=O)O
InChi: InChI=1S/C13H8N2O2S/c14-8-9-4-5-15-12(6-9)18-11-3-1-2-10(7-11)13(16)17/h1-7H,(H,16,17)
InChiKey: InChIKey=BHISMDNETRVLDY-UHFFFAOYSA-N

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