Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2-(2-Benzothiazolylthio)ethanol

Related Products

Hot Products

Name

2-(2-Benzothiazolylthio)ethanol

EINECS N/A
CAS No. 4665-63-8 Density 1.39 g/cm3
PSA 86.66000 LogP 2.38070
Solubility N/A Melting Point 50-55 °C
Formula C9H9NOS2 Boiling Point 378.4 °C at 760 mmHg
Molecular Weight 211.309 Flash Point 182.7 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 4665-63-8 (2-(2-BENZOTHIAZOLYLTHIO)ETHANOL) Hazard Symbols HarmfulXn
Synonyms

2-(1,3-Benzothiazol-2-ylthio)ethanol;2-(1,3-Benzothiazol-2-ylsulfanyl)-1-ethanol;

Article Data 8

2-(2-Benzothiazolylthio)ethanol Synthetic route

149-30-4

2-thioxo-3H-1,3-benzothiazole

4665-63-8

2-(2-benzothiazolylthio)ethanol

Conditions
ConditionsYield
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
ConditionsYield
With water
With ethanol
7778-70-3

potassium 2-mercaptobenzothiazolate

107-07-3

2-chloro-ethanol

4665-63-8

2-(2-benzothiazolylthio)ethanol

Conditions
ConditionsYield
With water
With ethanol
149-30-4

2-Mercaptobenzothiazole

107-07-3

2-chloro-ethanol

4665-63-8

2-(2-benzothiazolylthio)ethanol

624-76-0

Iodoethanol

149-30-4

2-Mercaptobenzothiazole

4665-63-8

2-(2-benzothiazolylthio)ethanol

Conditions
ConditionsYield
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;
107-21-1

ethylene glycol

149-30-4

2-Mercaptobenzothiazole

4665-63-8

2-(2-benzothiazolylthio)ethanol

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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

2-(2-Benzothiazolylthio)ethanol 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.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 4665-63-8