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| CAS No.: | 4665-63-8 |
|---|---|
| Name: | 2-(2-BENZOTHIAZOLYLTHIO)ETHANOL |
| Article Data: | 8 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H9NOS2 |
| Molecular Weight: | 211.309 |
| Synonyms: | 2-(1,3-Benzothiazol-2-ylthio)ethanol;2-(1,3-Benzothiazol-2-ylsulfanyl)-1-ethanol; |
| Density: | 1.39 g/cm3 |
| Melting Point: | 50-55 °C |
| Boiling Point: | 378.4 °C at 760 mmHg |
| Flash Point: | 182.7 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 86.66000 |
| LogP: | 2.38070 |
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- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
| Conditions | Yield |
|---|---|
| With oxirane; 1,4-dioxane at 95 - 105℃; | |
| With 3,6,9-trioxaundecane at 125 - 130℃; |
- 2492-26-4
sodium 2-mercaptobenzothiazole
- 107-07-3
2-chloro-ethanol
- 4665-63-8
2-(2-benzothiazolylthio)ethanol
| Conditions | Yield |
|---|---|
| With water | |
| With ethanol |
- 7778-70-3
potassium 2-mercaptobenzothiazolate
- 107-07-3
2-chloro-ethanol
- 4665-63-8
2-(2-benzothiazolylthio)ethanol
| Conditions | Yield |
|---|---|
| With water | |
| With ethanol |
| Conditions | Yield |
|---|---|
| Stage #1: 2-Mercaptobenzothiazole With potassium carbonate In methanol at 30℃; for 0.25h; Stage #2: Iodoethanol In methanol at 30℃; for 20.25h; Heating / reflux; |
| Conditions | Yield |
|---|---|
| With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; for 4h; Inert atmosphere; |
- 4665-63-8
2-(2-benzothiazolylthio)ethanol
- 79-10-7
acrylic acid
- 39667-72-6
(2-(2-benzothiazolylthio)ethyl)acrylate
| Conditions | Yield |
|---|---|
| With 2-chloro-1-methyl-pyridinium iodide; triethylamine In dichloromethane at 20℃; for 24h; | 96% |
- 4665-63-8
2-(2-benzothiazolylthio)ethanol
- 2094-99-7
1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
- 644985-60-4
C22H24N2O2S2
| Conditions | Yield |
|---|---|
| dibutyltin dilaurate In toluene at 80℃; for 4.16667h; | 95% |
- 4665-63-8
2-(2-benzothiazolylthio)ethanol
- 31643-49-9
4-Nitrophthalonitrile
- 1415353-65-9
4-(2-(2-benzothiazolylthio)ethoxy)phthalonitrile
| Conditions | Yield |
|---|---|
| Stage #1: 2-(2-benzothiazolylthio)ethanol; 4-Nitrophthalonitrile In N,N-dimethyl-formamide for 0.166667h; Inert atmosphere; Stage #2: With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 74h; Inert atmosphere; | 78% |
- 4665-63-8
2-(2-benzothiazolylthio)ethanol
- 189579-73-5
2-(benzo[d]thiazol-2-ylsulfonyl)ethan-1-ol
| Conditions | Yield |
|---|---|
| With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0 - 20℃; | 77% |
| With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0 - 20℃; for 20h; Inert atmosphere; | 8.9 g |
- Total:15 Page 1 of 1 1
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Specification
The CAS registry number of Ethanol,2-(2-benzothiazolylthio)- is 4665-63-8. Its systematic name is 2-(1,3-benzothiazol-2-ylsulfanyl)ethanol. In addition, the molecular formula is C9H9NOS2 and the molecular weight is 211.3. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about Ethanol,2-(2-benzothiazolylthio)- are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.59; (6)ACD/BCF (pH 7.4): 44.59; (7)ACD/KOC (pH 5.5): 527.37; (8)ACD/KOC (pH 7.4): 527.4; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 75.66 Å2; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 59.05 cm3; (15)Molar Volume: 151.5 cm3; (16)Polarizability: 23.41 ×10-24cm3; (17)Surface Tension: 70 dyne/cm; (18)Density: 1.39 g/cm3; (19)Flash Point: 182.7 °C; (20)Enthalpy of Vaporization: 66.07 kJ/mol; (21)Boiling Point: 378.4 °C at 760 mmHg; (22)Vapour Pressure: 2.12E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c2ccccc2sc1SCCO
(2)Std. InChI: InChI=1S/C9H9NOS2/c11-5-6-12-9-10-7-3-1-2-4-8(7)13-9/h1-4,11H,5-6H2
(3)Std. InChIKey: PYNOHHMFQYUSDD-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 417mg/kg (417mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Toxicology and Applied Pharmacology. Vol. 14, Pg. 221, 1969. |
| mouse | LD50 | oral | 1017mg/kg (1017mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Toxicology and Applied Pharmacology. Vol. 14, Pg. 221, 1969. |