Ergoline, 8-[(methylthio)methyl]-, (8b)-


Chemical Name: Ergoline, 8-[(methylthio)methyl]-, (8b)-
CAS Number: 72821-91-1
Product Number: AG005OP3(AGN-PC-0OH6RI)
Synonyms:
MDL No:
Molecular Formula: C16H20N2S
Molecular Weight: 272.4084

Identification/Properties


Properties
MP:
182-184°C (dec.)
Storage:
-10 ℃;
Computed Properties
Molecular Weight:
272.41g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
272.135g/mol
Monoisotopic Mass:
272.135g/mol
Topological Polar Surface Area:
53.1A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
335
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
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


NMR Spectrum


Other Analytical Data


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