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| CAS No.: | 19975-56-5 |
|---|---|
| Name: | 2-(METHYLTHIO)-2-THIAZOLINE |
| Molecular Structure: | |
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| 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 |
| Boiling Point: | 216.5 °C at 760mmHg |
| Flash Point: | 84.7 °C |
| Safety: | 23-24/25 |
| PSA: | 62.96000 |
| LogP: | 0.88780 |
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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 %.
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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