2,1,3-Benzothiadiazole,4-methyl- supplier

Name
4-METHYL-2,1,3-BENZOTHIADIAZOLE
EINECS
CAS No. 1457-92-7
Article Data17
CAS DataBase
Density 1.297 g/cm³
Solubility
Melting Point 157.5-158.8℃
Formula C₇H₆N₂S
Boiling Point 228.5 °C at 760 mmHg
Molecular Weight 150.204
Flash Point 92.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methyl-2,1,3-benzothiadiazole;4-Methyl-benzo[1,2,5]thiadiazole;
PSA 54.02000
LogP 1.99970

2,1,3-Benzothiadiazole,4-methyl- Specification

The 2,1,3-Benzothiadiazole,4-methyl-, with the CAS registry number 1457-92-7, is also known as 4-Methyl-benzo[1,2,5]thiadiazole. It belongs to the product category of Heterocycles series. This chemical's molecular formula is C₇H₆N₂S and molecular weight is 150.2. What's more, its systematic name is 4-methyl-2,1,3-benzothiadiazole.

Physical properties of 2,1,3-Benzothiadiazole,4-methyl- are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 42.12; (6)ACD/BCF (pH 7.4): 42.12; (7)ACD/KOC (pH 5.5): 506.29; (8)ACD/KOC (pH 7.4): 506.29; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.02 Å²; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 43.48 cm³; (15)Molar Volume: 115.7 cm³; (16)Polarizability: 17.23×10^-24cm³; (17)Surface Tension: 58.5 dyne/cm; (18)Density: 1.297 g/cm³; (19)Flash Point: 92.6 °C; (20)Enthalpy of Vaporization: 44.62 kJ/mol; (21)Boiling Point: 228.5 °C at 760 mmHg; (22)Vapour Pressure: 0.111 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1snc2c(cccc12)C
(2)InChI: InChI=1S/C7H6N2S/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3
(3)InChIKey: IYZKISWGGPKREZ-UHFFFAOYSA-N

Product Name

4-METHYL-2,1,3-BENZOTHIADIAZOLE

2,1,3-Benzothiadiazole,4-methyl- Specification

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