S-[7-oxo-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 2-methylpropanethioate


Chemical Name: S-[7-oxo-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 2-methylpropanethioate
CAS Number: 848354-66-5
Product Number: AG0035DH(AGN-PC-0088WF)
Synonyms:
MDL No:
Molecular Formula: C20H26N2O2S2
Molecular Weight: 390.5626

Identification/Properties


Properties
MP:
127-128℃(Solv: hexane (110-54-3); ethyl acetate (141-78-6))
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
390.56g/mol
XLogP3:
5.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
11
Exact Mass:
390.144g/mol
Monoisotopic Mass:
390.144g/mol
Topological Polar Surface Area:
113A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
440
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
1759
Hazard Statements:
H318-H413
Precautionary Statements:
P280-P305+P351+P338
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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