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19975-56-5

Basic Information
CAS No.: 19975-56-5
Name: Thiazole,4,5-dihydro-2-(methylthio)-
Article Data: 18
Cas Database
Molecular Structure:
Molecular Structure of 19975-56-5 (Thiazole,4,5-dihydro-2-(methylthio)-)
Formula: C4H7NS2
Molecular Weight: 133.238
Synonyms: 2-Thiazoline,2-(methylthio)- (6CI,7CI,8CI);2-(Methylsulfanyl)-4,5-dihydrothiazole;2-(Methylthio)-4,5-dihydro-1,3-thiazole;2-(Methylthio)-4,5-dihydrothiazole;2-(Methylthio)thiazoline;2-Methylthio-2-thiazoline;4,5-Dihydro-2-methylthiothiazole;NSC 196203;2-(METHYLTHIO)-2-THIAZOLINE;
EINECS: 243-447-9
Density: 1.32 g/cm3
Melting Point: N/A
Boiling Point: 216.5 °C at 760mmHg
Flash Point: 84.7 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety: 23-24/25
Transport Information: N/A
PSA: 62.96000
LogP: 0.88780
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    Thiazole,4,5-dihydro-2-(methylthio)- 2-methylsulfanyl-4,5-dihydro-1,3-thiazole CAS No.: 19975-56-5 Synonyms: Thiazole,4,5-dihydro-2-(methylthio); 2-(methylmercapto)-2-thiazoline; 2-(Methylthio)-4,5-dihydrothiazole; 2-methylthio thiazoline;

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  • 2-(Methylthio)-2-Thiazoline

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Specification

The Thiazole,4,5-dihydro-2-(methylthio)-, with the CAS registry number 19975-56-5, is also known as 2-Methylthio-2-thiazoline. Its EINECS registry number is 243-447-9. This chemical's molecular formula is C4H7NS2 and molecular weight is 133.24. What's more, both its IUPAC name and systematic name are the same which is called 2-Methylsulfanyl-4,5-dihydro-1,3-thiazole. When you are dealing with this chemical, you should not breathe gas/fumes/vapour/spray and you should avoid contacting with skin and eyes.

Physical properties about Thiazole,4,5-dihydro-2-(methylthio)- are: (1) ACD/LogP: 0.52; (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): 45.8; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 62.96 Å2; (13) Index of Refraction: 1.653; (14) Molar Refractivity: 36.91 cm3; (15) Molar Volume: 100.7 cm3; (16) Surface Tension: 47.9 dyne/cm; (17) Density: 1.32 g/cm3; (18) Flash Point: 84.7 °C; (19) Enthalpy of Vaporization: 43.44 kJ/mol; (20) Boiling Point: 216.5 °C at 760 mmHg; (21) Vapour Pressure: 0.205 mmHg at 25 °C.

Uses of Thiazole,4,5-dihydro-2-(methylthio)-: it is used to produce other chemicals. For example, it is used to produce 1,3-Thiazlidin-2-on-(2-chlorphenyl)hydrazon-hydrochlorid. The reaction occurs with reagent Methanol and other condition of heating for 45 minutes. The yield is 44 %.



You can still convert the following datas into molecular structure:
(1) SMILES: S(/C1=N/CCS1)C
(2) InChI: InChI=1/C4H7NS2/c1-6-4-5-2-3-7-4/h2-3H2,1H3
(3) InChIKey: QFGRBBWYHIYNIB-UHFFFAOYAK