Products Categories
CAS No.: | 4892-02-8 |
---|---|
Name: | METHYL THIOSALICYLATE |
Article Data: | 45 |
Molecular Structure: | |
Formula: | C8H8O2S |
Molecular Weight: | 168.216 |
Synonyms: | Benzoicacid, o-mercapto-, methyl ester (6CI,7CI,8CI);2-(Methoxycarbonyl)benzenethiol;2-(Methoxycarbonyl)thiophenol;2-Mercaptobenzoic acid methyl ester;Methyl2-mercaptobenzoate;Methyl 2-sulfanylbenzoate;Methyl 2-thiosalicylate;Methylo-mercaptobenzoate;Methyl thiosalicylate;NSC 30156;Thiosalicylic acid methylester; |
EINECS: | 628-716-4 |
Density: | 1.202 g/mL at 25 °C(lit.) |
Melting Point: | 164 °C |
Boiling Point: | 261.9 °C at 760 mmHg |
Flash Point: | 161.5 °C |
Appearance: | clear colorless to light yellow or light green |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-37/39 |
PSA: | 65.10000 |
LogP: | 1.76190 |
Conditions | Yield |
---|---|
With hydrogenchloride; diphenylphosphinopolystyrene In tetrahydrofuran for 24h; Heating; | 98% |
With 1,8-diazabicyclo[5.4.0]undec-7-ene In chloroform | 20% |
With hydrogenchloride; triphenylphosphine | |
With triphenylphosphine In 1,4-dioxane; water at 30℃; Rate constant; |
Conditions | Yield |
---|---|
With sulfuric acid In water at 5℃; Reflux; | 96% |
With sulfuric acid Reflux; | 95% |
With sulfuric acid for 48h; Reflux; | 94% |
4H-3,1-benzoxathiin-4-thione
Methyl thiosalicylate
Conditions | Yield |
---|---|
Stage #1: 4H-3,1-benzoxathiin-4-thione at 850℃; under 0.0015 Torr; Stage #2: In methanol at -78℃; | 94% |
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride; titanium tetrachloride; zinc In dichloromethane for 2h; Heating; | A 87% B 3% |
With titanium tetrachloride; zinc In dichloromethane Heating; | A 15% B 75% |
Conditions | Yield |
---|---|
With oxalyl dichloride In methanol for 6h; Reflux; | 85% |
With hydrogenchloride; acetyl chloride In methanol; hexane; ethyl acetate |
Conditions | Yield |
---|---|
With thionyl chloride at 0 - 20℃; for 7h; | 85% |
Methyl thiosalicylate
Conditions | Yield |
---|---|
With titanium tetrachloride; zinc In dichloromethane at 25℃; for 0.166667h; | 84% |
methyl 2-(acetylthio)benzoate
Methyl thiosalicylate
Conditions | Yield |
---|---|
With titanium tetrachloride; zinc In dichloromethane at 25℃; for 0.166667h; | 83% |
Conditions | Yield |
---|---|
for 50h; Ambient temperature; | 60% |
for 0.25h; Ambient temperature; | 35% |
Conditions | Yield |
---|---|
With hydrogenchloride |
What can I do for you?
Get Best Price
This chemical is called Benzoic acid, 2-mercapto-, methyl ester, and it can also be named as Benzoic acid, o-mercapto-, methyl ester. With the molecular formula of C8H8O2S, its molecular weight is 168.21. The CAS registry number of this chemical is 4892-02-8. Additionally, its product categories are Organics; Metal Isotopes; Sulfur & Selenium Compounds.
Other characteristics of the Benzoic acid, 2-mercapto-, methyl ester can be summarised as followings: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 44.79; (6)ACD/BCF (pH 7.4): 1.78; (7)ACD/KOC (pH 5.5): 475.1; (8)ACD/KOC (pH 7.4): 18.93; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.6 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 46.2 cm3; (15)Molar Volume: 139.9 cm3; (16)Polarizability: 18.31×10-24cm3; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.202 g/cm3; (19)Flash Point: 161.5 °C; (20)Enthalpy of Vaporization: 49.96 kJ/mol; (21)Boiling Point: 261.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0113 mmHg at 25°C.
Uses of this chemical: The 2-mercapto-benzoic acid methyl ester could be obtained by the reactants of Benzoic acid, 2-mercapto-, methyl ester and methanol. This reaction needs the reagent of HCl. The yield is 75 %. This reaction should be taken for 16 hours. The other condition is heating.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1ccccc1S
2.InChI: InChI=1/C8H8O2S/c1-10-8(9)6-4-2-3-5-7(6)11/h2-5,11H,1H3
3.InChIKey: BAQGCWNPCFABAY-UHFFFAOYAW