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

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

CAS No.:
1046079-55-3
Catalog Number:
AG01ACLJ
Molecular Formula:
C3H6ClN3OS
Molecular Weight:
167.6172
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Product Description
Catalog Number:
AG01ACLJ
Chemical Name:
5-(aminomethyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione hydrochloride
CAS Number:
1046079-55-3
Molecular Formula:
C3H6ClN3OS
Molecular Weight:
167.6172
MDL Number:
MFCD11109603
IUPAC Name:
5-(aminomethyl)-3H-1,3,4-oxadiazole-2-thione;hydrochloride
InChI:
InChI=1S/C3H5N3OS.ClH/c4-1-2-5-6-3(8)7-2;/h1,4H2,(H,6,8);1H
InChI Key:
UZJMOGLTRDKRCS-UHFFFAOYSA-N
SMILES:
NCc1n[nH]c(=S)o1.Cl
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.992g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
167.611g/mol
Monoisotopic Mass:
166.992g/mol
Rotatable Bond Count:
1  
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