Cas no 53571-49-6 (3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium sodium chloride iodide (1:1:1:1))
![3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium sodium chloride iodide (1:1:1:1) structure](https://ossimg.kuujia.com/scimg/54000/53571-49-6x500.png)
53571-49-6 structure
Product Name:3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium sodium chloride iodide (1:1:1:1)
CAS No:53571-49-6
MF:C12H17ClIN4NaOS
MW:450.70182299614
CID:1583376
PubChem ID:191282
Update Time:2025-04-21
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium sodium chloride iodide (1:1:1:1) Chemical and Physical Properties
Names and Identifiers
-
- 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium sodium chloride iodide (1:1:1:1)
- sodium,2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol,chloride,iodide
- 53571-49-6
- 5-(2-Hydroxyethyl)-3-[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium sodium chloride iodide (1/1/1/1)
- Tiiodine
- DTXSID70968345
- Thiazolium, 3 ((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl- chloride, mixt. with sodium iodide
- Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl- chloride, mixt. with sodium iodide (NaI)
- Thiiodine
-
- Inchi： 1S/C12H17N4OS.ClH.HI.Na/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H;/q+1;;;+1/p-2
- InChI Key： KEULWCZGHKCJKP-UHFFFAOYSA-L
- SMILES： [I-].[Cl-].S1C=[N+](CC2=CN=C(C)N=C2N)C(C)=C1CCO.[Na+]
Computed Properties
- Exact Mass: 432.8421
- Monoisotopic Mass: 449.97540g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 269
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 104?2
Experimental Properties
- PSA: 71.86
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium sodium chloride iodide (1:1:1:1) Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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