Cas no 50815-77-5 (dicalcium; 5-chloro-2-methyl-thiazol-3-one; 2-methylthiazol-3-one; tetrachloride)
50815-77-5 structure
Product Name:dicalcium; 5-chloro-2-methyl-thiazol-3-one; 2-methylthiazol-3-one; tetrachloride
CAS No:50815-77-5
MF:C8H9Ca2Cl5N2O2S2
MW:486.720252752304
CID:373888
PubChem ID:39799
Update Time:2025-04-19
dicalcium; 5-chloro-2-methyl-thiazol-3-one; 2-methylthiazol-3-one; tetrachloride Chemical and Physical Properties
Names and Identifiers
-
- dicalcium
- dicalcium,5-chloro-2-methyl-1,2-thiazol-3-one,2-methyl-1,2-thiazol-3-one,tetrachloride
- 2-methylthiazol-3-one
- 5-chloro-2-methyl-thiazol-3-one
- tetrachloride
- NS00128908
- Calcium, dichloro(5-chloro-2-methyl-3(2H)-isothiazolone-O)-, mixt. with dichloro(2-methyl-3(2H)-isothiazolone-O)calcium
- RH 886
- Dichloro(5-chloro-2-methyl-3(2H)-isothiazolone-O)calcium mixt. with dichloro(2-methyl-3(2H)-isothiazolone-O)calcium
- 50815-77-5
- dicalcium; 5-chloro-2-methyl-thiazol-3-one; 2-methylthiazol-3-one; tetrachloride
-
- Inchi： 1S/C4H4ClNOS.C4H5NOS.2Ca.4ClH/c1-6-4(7)2-3(5)8-6;1-5-4(6)2-3-7-5;;;;;;/h2H,1H3;2-3H,1H3;;;4*1H/q;;2*+2;;;;/p-4
- InChI Key： JSVFEAYHGZMFLS-UHFFFAOYSA-J
- SMILES： [Ca+2].[Ca+2].ClC1=CC(N(C)S1)=O.[Cl-].[Cl-].[Cl-].[Cl-].S1C=CC(N1C)=O
Computed Properties
- Exact Mass: 485.77704
- Monoisotopic Mass: 483.77999
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 277
- Covalently-Bonded Unit Count: 8
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 91.2
Experimental Properties
- Boiling Point: 200.2°C at 760 mmHg
- Flash Point: 74.9°C
dicalcium; 5-chloro-2-methyl-thiazol-3-one; 2-methylthiazol-3-one; tetrachloride Related Literature
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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