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

CAS No.
CCD No.
CCD03597748
Formula
C13 H22 N2 O2 S
MolWeight
270.395

Basic Information

Product Name: 2-([1-(3-METHYLBUTYL)-3-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]SULFANYL)ACETIC ACID
English Synonyms: 2-([1-(3-METHYLBUTYL)-3-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]SULFANYL)ACETIC ACID
MDL Number.: MFCD17339631
H bond acceptor: 4
H bond donor: 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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