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CAS No.: | 7464-20-2 |
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Name: | 2-Benzothiazolamine,6-chloro-N,N-dimethyl-(9CI) |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C9H9ClN2S |
Molecular Weight: | 212.70 |
Synonyms: | Benzothiazole,6-chloro-2-(dimethylamino)- (8CI);NSC 403378;6-Chloro-N,N-dimethyl-1,3-benzothiazol-2-amine; |
Density: | 1.361 g/cm3 |
Boiling Point: | 301.5 °C at 760 mmHg |
Flash Point: | 136.2 °C |
PSA: | 44.37000 |
LogP: | 3.01570 |
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The 2-Benzothiazolamine,6-chloro-N,N-dimethyl-, with the CAS registry number 7464-20-2, is also known as Benzothiazole,6-chloro-2-(dimethylamino)- (8CI). It belongs to the product category of Benzothiazole. This chemical's molecular formula is C9H9ClN2S and molecular weight is 212.70. What's more, its systematic name is 6-chloro-N,N-dimethyl-1,3-benzothiazol-2-amine.
Physical properties of 2-Benzothiazolamine,6-chloro-N,N-dimethyl- are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 44.37 Å2; (7)Index of Refraction: 1.691; (8)Molar Refractivity: 59.77 cm3; (9)Molar Volume: 156.1 cm3; (10)Polarizability: 23.69×10-24cm3; (11)Surface Tension: 55.4 dyne/cm; (12)Density: 1.361 g/cm3; (13)Flash Point: 136.2 °C; (14)Enthalpy of Vaporization: 54.17 kJ/mol; (15)Boiling Point: 301.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00105 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)C1=NC2=C(S1)C=C(C=C2)Cl
(2)InChI: InChI=1S/C9H9ClN2S/c1-12(2)9-11-7-4-3-6(10)5-8(7)13-9/h3-5H,1-2H3
(3)InChIKey: SJCCXELUVHICLM-UHFFFAOYSA-N