1H-Thieno[3,4-d]imidazole-4-pentanoic acid,2-amino-3a,4,6,6a-tetrahydro-, (3aS,4S,6aR)-


Chemical Name: 1H-Thieno[3,4-d]imidazole-4-pentanoic acid,2-amino-3a,4,6,6a-tetrahydro-, (3aS,4S,6aR)-
CAS Number: 13395-35-2
Product Number: AG007MN6(AGN-PC-0PK6LD)
Synonyms:
MDL No: MFCD00066150
Molecular Formula: C10H17N3O2S
Molecular Weight: 243.3259

Identification/Properties


Computed Properties
Molecular Weight:
243.325g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
243.104g/mol
Monoisotopic Mass:
243.104g/mol
Topological Polar Surface Area:
113A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
308
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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