Acetamide,N-2-benzothiazolyl-2-chloro- supplier

Name
N-(1,3-BENZOTHIAZOL-2-YL)-2-CHLOROACETAMIDE
EINECS
CAS No. 3028-02-2
Article Data85
CAS DataBase
Density 1.503 g/cm³
Solubility
Melting Point
Formula C₉H₇ClN₂OS
Boiling Point
Molecular Weight 226.686
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Benzothiazole,2-(2-chloroacetamido)- (6CI,7CI);2-(2-Chloroacetamido)benzothiazole;2-(Chloroacetamido)benzothiazole;2-Chloroacetylaminobenzothiazole;
PSA 70.23000
LogP 2.54660

Acetamide,N-2-benzothiazolyl-2-chloro- Specification

The Acetamide,N-2-benzothiazolyl-2-chloro-, with the CAS registry number 3028-02-2, is also known as N,N-Diethyl-N-methylethanaminium. This chemical's molecular formula is C₉H₇ClN₂OS and molecular weight is 226.68. What's more, its systematic name and its IUPAC name are the same which is called N-(1,3-Benzothiazol-2-yl)-2-chloroacetamide. When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes.

Physical properties about Acetamide,N-2-benzothiazolyl-2-chloro-: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 22.23; (6)ACD/BCF (pH 7.4): 22.21; (7)ACD/KOC (pH 5.5): 320.43; (8)ACD/KOC (pH 7.4): 320.17; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 61.44 Å²; (13)Index of Refraction: 1.722; (14)Molar Refractivity: 59.69 cm³; (15)Molar Volume: 150.7 cm³; (16)Surface Tension: 66.6 dyne/cm; (17)Density: 1.503 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)Nc1nc2ccccc2s1
(2)InChI: InChI=1/C9H7ClN2OS/c10-5-8(13)12-9-11-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12,13)
(3)InChIKey: CMUZFXFDVGLPGO-UHFFFAOYAD

Product Name

N-(1,3-BENZOTHIAZOL-2-YL)-2-CHLOROACETAMIDE

Acetamide,N-2-benzothiazolyl-2-chloro- Specification

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