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

2-Benzothiazolamine,N-methyl-

Related Products

Hot Products

Name

2-Benzothiazolamine,N-methyl-

EINECS 241-025-9
CAS No. 16954-69-1 Density 1.306 g/cm3
PSA 53.16000 LogP 2.41100
Solubility N/A Melting Point 140-142ºC
Formula C8H8N2S Boiling Point 270.1 °C at 760 mmHg
Molecular Weight 164.231 Flash Point 117.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 16954-69-1 (N-methylbenzothiazol-2-amine) Hazard Symbols N/A
Synonyms

Benzothiazole,2-(methylamino)- (7CI,8CI);2-(Methylamino)benzothiazole;2-(N-Methylamino)benzothiazole;Benzothiazol-2-ylmethylamine;N-(2-Benzothiazolyl)methylamine;

Article Data 46

2-Benzothiazolamine,N-methyl- Specification

The 2-Benzothiazolamine,N-methyl-, with CAS registry number 16954-69-1, belongs to the following product categories: (1)Benzothiazole; (2)Thiazoles. It has the systematic name of N-methyl-1,3-benzothiazol-2-amine. Besides this, it is also called N-Methylbenzothiazol-2-amine. And the chemical formula of this chemical is C8H8N2S.

Physical properties of 2-Benzothiazolamine,N-methyl-: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 22.93; (6)ACD/BCF (pH 7.4): 28.91; (7)ACD/KOC (pH 5.5): 306.47; (8)ACD/KOC (pH 7.4): 386.42; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 44.37 Å2; (13)Index of Refraction: 1.73; (14)Molar Refractivity: 50.18 cm3; (15)Molar Volume: 125.7 cm3; (16)Polarizability: 19.89×10-24cm3; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.306 g/cm3; (19)Flash Point: 117.2 °C; (20)Enthalpy of Vaporization: 50.83 kJ/mol; (21)Boiling Point: 270.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00697 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c2ccccc2sc1NC
(2)InChI: InChI=1/C8H8N2S/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,9,10)
(3)InChIKey: QVKPPRYUGJFISN-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C8H8N2S/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H,9,10)
(5)Std. InChIKey: QVKPPRYUGJFISN-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 470ug/kg (0.47mg/kg)   Japanese Journal of Toxicology. Vol. 2, Pg. 225, 1989.
mouse LD50 oral 5800ug/kg (5.8mg/kg)   Japanese Journal of Toxicology. Vol. 2, Pg. 225, 1989.
mouse LD50 subcutaneous 1190ug/kg (1.19mg/kg)   Japanese Journal of Toxicology. Vol. 2, Pg. 225, 1989.

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 16954-69-1