2-([5-ETHYL-4-(HEXAN-3-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETIC ACID

CAS No.
CCD No.
CCD03308115
Formula
C12 H21 N3 O2 S
MolWeight
271.383

Basic Information

Product Name: 2-([5-ETHYL-4-(HEXAN-3-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETIC ACID
English Synonyms: 2-([5-ETHYL-4-(HEXAN-3-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETIC ACID
MDL Number.: MFCD17028299
H bond acceptor: 5
H bond donor: 1
Smile: CCCC(CC)n1c(nnc1SCC(=O)O)CC
InChi: InChI=1S/C12H21N3O2S/c1-4-7-9(5-2)15-10(6-3)13-14-12(15)18-8-11(16)17/h9H,4-8H2,1-3H3,(H,16,17)
InChiKey: InChIKey=BLHCODUFMBJYCQ-UHFFFAOYSA-N

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