PTACH
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PTACH
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CAS No:
848354-66-5
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Formula:
C20H26N2O2S2
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Chemical Name:
PTACH
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Synonyms:
Cpd 51, S-[6-(4-Phenyl-2-thiazolylcarbamoyl)hexyl] thioisobutyrate;2-MethylpropanethioicacidS-[7-oxo-7-[(4-phenyl-2-thiazolyl)amino]heptyl]ester;NCH 51;S-(7-Oxo-7-((4-phenylthiazol-2-yl)amino)-heptyl) 2-methylpropanethioate;PTACH (NCH-51);HDAC Inhibitor XXII, NCH51;Propanethioic acid,2-methyl-, S-[7-oxo-7-[(4-phenyl-2-thiazolyl)amino]heptyl] ester;NCH51, >98%
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CAS No:
Description
2-methylpropanethioic acid S-[7-oxo-7-[(4-phenyl-2-thiazolyl)amino]heptyl] ester is an aromatic amide.
Characteristics
1.181±0.06 g/cm3
127-128 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6))
9.52±0.50
Safety Information
3
41
26-39
Xi
|Danger|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P273, P280, P305+P351+P338, P310, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:390.6
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:390.14357042
Monoisotopic Mass:390.14357042
Topological Polar Surface Area:113
Heavy Atom Count:26
Complexity:440
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
