1H-Imidazole-4-propanoic acid, a-amino-2,3-dihydro-2-thioxo-, (S)-


Chemical Name: 1H-Imidazole-4-propanoic acid, a-amino-2,3-dihydro-2-thioxo-, (S)-
CAS Number: 2002-22-4
Product Number: AG002CM6(AGN-PC-0QR7XS)
Synonyms:
MDL No:
Molecular Formula: C6H9N3O2S
Molecular Weight: 187.2196

Identification/Properties


Computed Properties
Molecular Weight:
187.217g/mol
XLogP3:
-3.6
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
187.042g/mol
Monoisotopic Mass:
187.042g/mol
Topological Polar Surface Area:
120A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
251
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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