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Home Amines 102273-13-2
102273-13-2,MFCD27967041
Catalog No.:AA000704
102273-13-2 | 1,1-Ethenediamine, N-[2-[[[2-[(dimethylamino)methyl]-4-thiazolyl]methyl]sulfinyl]ethyl]-N'-methyl-2-nitro-
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Technical Information
Catalog Number:
AA000704
Chemical Name:
1,1-Ethenediamine, N-[2-[[[2-[(dimethylamino)methyl]-4-thiazolyl]methyl]sulfinyl]ethyl]-N'-methyl-2-nitro-
CAS Number:
102273-13-2
Molecular Formula:
C12H21N5O3S2
Molecular Weight:
347.4568
MDL Number:
MFCD27967041
IUPAC Name:
(E)-1-N'-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfinyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
InChI:
InChI=1S/C12H21N5O3S2/c1-13-11(6-17(18)19)14-4-5-22(20)9-10-8-21-12(15-10)7-16(2)3/h6,8,13-14H,4-5,7,9H2,1-3H3/b11-6+
InChI Key:
TZKMWRJRDCJAFI-IZZDOVSWSA-N
SMILES:
CNC(=C[N+](=O)[O-])NCCS(=O)Cc1csc(n1)CN(C)C
Properties
Computed Properties
 
Complexity:
414  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
347.108582g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
347.5g/mol
Monoisotopic Mass:
347.108582g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
151Ų
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

Synonyms
 
102273-13-2 
Nizatidine S-oxide 
1,1-Ethenediamine, N-(2-(((2-((dimethylamino)methyl)-4-thiazolyl)methyl)sulfinyl)ethyl)-N'-methyl-2-nitro- 
N-[2-[[[2-[(Dimethylamino)methyl]-4-thiazolyl]methyl]sulfinyl]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine 
DTXSID40858209 
1,1-Ethenediamine, N-[2-[[[2-[(dimethylamino)methyl]-4-thiazolyl]methyl]sulfinyl]ethyl]-N'-methyl-2-nitro- 
Nizatidine EP Impurity C; Nizatidine Sulfoxide 
(E)-N~1~-[2-({2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl}methanesulfinyl)ethyl]-N'~1~-methyl-2-nitroethene-1,1-diamine 
Nizatidine S-Oxide; N-[2-[[[2-[(Dimethylamino)methyl]-4-thiazolyl]methyl]sulfinyl]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine 
Nizatidine sulfoxide 
Nizatidine EP Impurity C 
UNII-5495DYZ7W0 
Literature
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