Home Aminos 5-(2-aminoethyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione hydrochloride

5-(2-aminoethyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione hydrochloride

CAS No.:
139601-75-5
Catalog Number:
AG01AD4C
Molecular Formula:
C4H8ClN3OS
Molecular Weight:
181.6438
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Product Description
Catalog Number:
AG01AD4C
Chemical Name:
5-(2-aminoethyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione hydrochloride
CAS Number:
139601-75-5
Molecular Formula:
C4H8ClN3OS
Molecular Weight:
181.6438
MDL Number:
MFCD11109606
IUPAC Name:
5-(2-aminoethyl)-3H-1,3,4-oxadiazole-2-thione;hydrochloride
InChI:
InChI=1S/C4H7N3OS.ClH/c5-2-1-3-6-7-4(9)8-3;/h1-2,5H2,(H,7,9);1H
InChI Key:
XNBZIJXJRABXJX-UHFFFAOYSA-N
SMILES:
NCCc1n[nH]c(=S)o1.Cl
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.008g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
181.638g/mol
Monoisotopic Mass:
181.008g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis of GABAA receptor agonists and evaluation of their alpha-subunit selectivity and orientation in the GABA binding site. Journal of medicinal chemistry 20080814
Properties