4,5-Dihydro-2-(methylthio)thiazole hydriodide supplier

Name
2-Methyl-sulphanyl-4,5-dihydrothiazoline hydroiodide
EINECS
CAS No. 40836-94-0
Density
Solubility
Melting Point
Formula C₄H₇NS₂^.HI
Boiling Point 216.5 °C at 760 mmHg
Molecular Weight 261.151
Flash Point 84.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Methylmercapto)-2-thiazoline hydroiodide;2-Methyl-sulphanyl-4,5-dihydrothiazoline hydroiodide;
PSA 62.96000
LogP 1.88600

4,5-Dihydro-2-(methylthio)thiazole hydriodide Specification

The 4,5-Dihydro-2-(methylthio)thiazole hydriodide, with the CAS registry number 40836-94-0, is also known as 2-(Methylmercapto)-2-thiazoline hydroiodide. This chemical's molecular formula is C₄H₇NS₂^.HI and molecular weight is 261.15. What's more, its systematic name is 2-(Methylsulfanyl)-4,5-dihydro-1,3-thiazole hydroiodide (1:1).

Physical properties of 4,5-Dihydro-2-(methylthio)thiazole hydriodide are: (1)ACD/LogP: 0.522; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1.43; (6)ACD/BCF (pH 7.4): 1.47; (7)ACD/KOC (pH 5.5): 44.57; (8)ACD/KOC (pH 7.4): 45.80; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.96 Å²; (13)Flash Point: 84.7 °C; (14)Enthalpy of Vaporization: 43.44 kJ/mol; (15)Boiling Point: 216.5 °C at 760 mmHg; (16)Vapour Pressure: 0.205 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: I.S(/C1=N/CCS1)C
(2)Std. InChI: InChI=1S/C4H7NS2.HI/c1-6-4-5-2-3-7-4;/h2-3H2,1H3;1H
(3)Std. InChIKey: ZQQFSKYVOMMSPD-UHFFFAOYSA-N

Product Name

2-Methyl-sulphanyl-4,5-dihydrothiazoline hydroiodide

4,5-Dihydro-2-(methylthio)thiazole hydriodide Specification

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