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57373-20-3

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Basic Information
CAS No.: 57373-20-3
Name: 2-Methyl-3(2H)-isothiazolone, calcium chloride complex
Molecular Structure:
Molecular Structure of 57373-20-3 (2-Methyl-3(2H)-isothiazolone, calcium chloride complex)
Formula: C4H5CaCl2NOS
Molecular Weight: 226.1376
Synonyms: 3(2H)-Isothiazolone,2-methyl-, calcium complex;2-Methyl-4-isothiazolin-3-one calcium chloride;
Boiling Point: 182.8 °C at 760mmHg
Flash Point: 64.3 °C
PSA: 50.24000
LogP: -5.54520
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Specification

The Calcium, dichloro(2-methyl-3(2H)-isothiazolone-O)- is a chemical with the fomular C4H5CaCl2NOS. The IUPAC name of this product is calcium 2-methyl-1,2-thiazol-3-one dichloride . With the CAS registry number 57373-20-3, it is also named as 2-Methyl-4-isothiazolin-3-one calcium chloride ; Caswell No. 195C ; EPA Pesticide Chemical Code 107102 ; Microbiocide 886 ; RH 30 ; RH 651 calcium chloride . It is toxic if swallowed.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.05 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 0.05 ; (4)ACD/LogD (pH 7.4): 0.05 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 25.46 ; (8)ACD/KOC (pH 7.4): 25.46 ; (9)#H bond acceptors: 2 ; (10)Enthalpy of Vaporization: 41.9 kJ/mol ; (11)Vapour Pressure: 0.797 mmHg at 25°C ; (12)Exact Mass: 224.909481 ; (13)MonoIsotopic Mass: 224.909481 ; (14)Topological Polar Surface Area: 45.6 ; (15)Heavy Atom Coun: 10 ; (16)Complexity: 121.

People can use the following data to convert to the molecule structure. SMILES: [Cl-].[Cl-].[Ca+2].O=C1/C=C\SN1C; InChI: InChI=1/C4H5NOS.Ca.2ClH/c1-5-4(6)2-3-7-5;;;/h2-3H,1H3;;2*1H/q;+2;;/p-2; InChIKey: ZNUJLBVUZKNDOW-NUQVWONBAY.