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

CAS号
CCD编号
CCD03597748
分子式
C13 H22 N2 O2 S
分子量
270.395

基本信息

产品名称: 2-([1-(3-METHYLBUTYL)-3-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]SULFANYL)ACETIC ACID
英文同义词: 2-([1-(3-METHYLBUTYL)-3-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]SULFANYL)ACETIC ACID
MDL号: MFCD17339631
氢键受体数量: 4
氢键供体数量: 1
Smile: CC(C)CCn1c(cc(n1)C(C)C)SCC(=O)O
InChi: InChI=1S/C13H22N2O2S/c1-9(2)5-6-15-12(18-8-13(16)17)7-11(14-15)10(3)4/h7,9-10H,5-6,8H2,1-4H3,(H,16,17)
InChiKey: InChIKey=VYSAHEAKCIQJBI-UHFFFAOYSA-N

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