263729
2-Amino-2-thiazoline hydrochloride
98%
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About This Item
Empirical Formula (Hill Notation):
C3H6N2S · HCl
CAS Number:
Molecular Weight:
138.62
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Assay
98%
mp
200-202 °C (lit.)
functional group
thioether
SMILES string
Cl[H].NC1=NCCS1
InChI
1S/C3H6N2S.ClH/c4-3-5-1-2-6-3;/h1-2H2,(H2,4,5);1H
InChI key
CODJLHDDIDUKMD-UHFFFAOYSA-N
General description
Metal complexing properties of 2-amino-2-thiazoline hydrochloride with H+, Mg2+, Ca2+, Ni2+, Mn2+, Cu2+ and Zn2+ has been investigated. 2-Amino-2-thiazoline hydrochloride is an anti-cancer molecule and charge distribution in it has been calculated with a quantum mechanic method.
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Regulatory Information
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Metal complexing ability of two inducers of reverse transformation.
Huang Z-X, et al.
Inorgorganica Chimica Acta, 56, 41-44 (1981)
Y G Smeyers et al.
Revista espanola de oncologia, 30(4), 515-518 (1983-01-01)
The charge distribution of anti-cancer molecules 4-thiazolidine-carboxylic acid and 2-amino-2-thiazoline hydrochloride was calculated with a CNDO/2 semiempiral quantum mechanic method. The activity seems to be related with the formation of Zn2+ and Mn2+ ions. Both molecules show local isosterism, origin
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