([4-(4-ISOPROPYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID

CAS No.
923804-50-6
CCD No.
CCD00680478
Formula
C13 H15 N3 O2 S
MolWeight
277.346

Basic Information

Product Name: ([4-(4-ISOPROPYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
CAS: 923804-50-6
English Synonyms: 2-((4-[4-(PROPAN-2-YL)PHENYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETIC ACID ; ([4-(4-ISOPROPYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
MDL Number.: MFCD08691292
H bond acceptor: 5
H bond donor: 1
Smile: CC(C)c1ccc(cc1)n2cnnc2SCC(=O)O
InChi: InChI=1S/C13H15N3O2S/c1-9(2)10-3-5-11(6-4-10)16-8-14-15-13(16)19-7-12(17)18/h3-6,8-9H,7H2,1-2H3,(H,17,18)
InChiKey: InChIKey=KGWGJFNUSXAZBX-UHFFFAOYSA-N

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