1,4-Thiazepin-5(2H)-one, 6-aminotetrahydro-2-(2-thienyl)-, (2S-trans)-


Chemical Name: 1,4-Thiazepin-5(2H)-one, 6-aminotetrahydro-2-(2-thienyl)-, (2S-trans)-
CAS Number: 110221-26-6
Product Number: AG008491(AGN-PC-0NXBZE)
Synonyms:
MDL No:
Molecular Formula: C9H12N2OS2
Molecular Weight: 228.3344

Identification/Properties


Computed Properties
Molecular Weight:
228.328g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
228.039g/mol
Monoisotopic Mass:
228.039g/mol
Topological Polar Surface Area:
109A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
225
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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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