Cas no 35459-95-1 ( )
structure
Product Name:
CAS No:35459-95-1
MF:C4H9Cl2N3OS
MW:218.104757070541
CID:920359
PubChem ID:73235
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- Thiazole, 2-amino-4-(aminooxymethyl)-, dihydrochloride
- 2-Amino-4-(aminooxymethyl)thiazole dihydrochloride
- 2-thiazolamine, 4-[(aminooxy)methyl]-, hydrochloride (1:2)
- 4-[(Aminooxy)methyl]-1,3-thiazol-2-amine dihydrochloride
- DS-004479
- 2-Thiazolamine, 4-[ (aminooxy)methyl]-, dihydrochloride
- 35459-95-1
- Thiazole, 2-amino-4-aminooxymethyl-, dihydrochloride
- 2-Amino-4-aminooxymethylthiazole dihydrochloride
- NSC 114737
- 2-Thiazolamine, 4-((aminooxy)methyl)-, dihydrochloride
-
-
- Inchi： 1S/C4H7N3OS.2ClH/c5-4-7-3(1-8-6)2-9-4;;/h2H,1,6H2,(H2,5,7);2*1H
- InChI Key： RHSQKJNYFYKIAQ-UHFFFAOYSA-N
- SMILES： Cl.Cl.S1C(N)=NC(=C1)CON
Computed Properties
- Exact Mass: 216.98457
- Monoisotopic Mass: 216.9843385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 91.9
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 102?2
Experimental Properties
- PSA: 74.16
- LogP: 2.19910
Related Literature
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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