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| CAS No.: | 2942-10-1 |
|---|---|
| Name: | 6-CHLOROBENZOTHIAZOLE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C7H4ClNS |
| Molecular Weight: | 169.634 |
| Synonyms: | 6-Chlorobenzothiazole;NSC 522957;6-Chloro-1,3-benzothiazole; |
| Density: | 1.435 g/cm3 |
| Melting Point: | 41 °C |
| Boiling Point: | 267.8 °C at 760 mmHg |
| Flash Point: | 115.8 °C |
| PSA: | 41.13000 |
| LogP: | 2.94970 |
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Specification
The Benzothiazole,6-chloro-, with the CAS registry number 2942-10-1, is also known as 6-Chlorobenzothiazole. It belongs to the product category of Benzothiazole. This chemical's molecular formula is C7H4ClNS and molecular weight is 169.63. What's more, its IUPAC name is 6-chloro-1,3-benzothiazole.
Physical properties of Benzothiazole,6-chloro- are: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 41.13 Å2; (7)Index of Refraction: 1.695; (8)Molar Refractivity: 45.46 cm3; (9)Molar Volume: 118.2 cm3; (10)Polarizability: 18.02×10-24cm3; (11)Surface Tension: 56.6 dyne/cm; (12)Density: 1.435 g/cm3; (13)Flash Point: 115.8 °C; (14)Enthalpy of Vaporization: 48.55 kJ/mol; (15)Boiling Point: 267.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0131 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1Cl)SC=N2
(2)InChI: InChI=1S/C7H4ClNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H
(3)InChIKey: AIBQGOMAISTKSR-UHFFFAOYSA-N