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

CAS No.
CCD No.
CCD03873451
Formula
C13 H22 N2 O2 S
MolWeight
270.395

Basic Information

Product Name: 2-([1-(PENTAN-3-YL)-3-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]SULFANYL)ACETIC ACID
English Synonyms: 2-([1-(PENTAN-3-YL)-3-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]SULFANYL)ACETIC ACID
MDL Number.: MFCD17970351
H bond acceptor: 4
H bond donor: 1
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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