2-([1-(PENTAN-3-YL)-3-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]SULFANYL)ACETIC ACID

pro_cas
pro_cdbregno
CCD03873451
pro_formula
C13 H22 N2 O2 S
pro_molWeight
270.395

basic_info

Product_Name: 2-([1-(PENTAN-3-YL)-3-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]SULFANYL)ACETIC ACID
EnglishSynonyms: 2-([1-(PENTAN-3-YL)-3-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]SULFANYL)ACETIC ACID
pro_mdlNumber: MFCD17970351
pro_acceptors: 4
pro_donors: 1
pro_smile: CCC(CC)n1c(cc(n1)C(C)C)SCC(=O)O
InChi: InChI=1S/C13H22N2O2S/c1-5-10(6-2)15-12(18-8-13(16)17)7-11(14-15)9(3)4/h7,9-10H,5-6,8H2,1-4H3,(H,16,17)
InChiKey: InChIKey=AJLPNSSPKKJHKR-UHFFFAOYSA-N

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