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CAS No.: | 874-37-3 |
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Name: | 2,1,3-Benzothiadiazol-5-amine |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C6H5N3S |
Molecular Weight: | 151.192 |
Synonyms: | 2,1,3-Benzothiadiazole,5-amino- (6CI,7CI,8CI);(2,1,3-Benzothiadiazol-5-yl)amine;2,1,3-Benzothiadiazol-2-SIV-5-amine;5-Amino-2,1,3-benzothiadiazole;5-Amino-benzo[1,2,5]thiadiazole;NSC 231627; |
Density: | 1.485g/cm3 |
Melting Point: | 112-115°C |
Boiling Point: | 303 °C at 760 mmHg |
Flash Point: | 137.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 80.04000 |
LogP: | 1.85470 |
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The 2,1,3-Benzothiadiazol-5-amine, with CAS registry number 874-37-3, has the systematic name of 2,1,3-benzothiadiazol-5-amine. Besides this, it is also called Benzo[1,2,5]thiadiazol-5-ylamine. And the chemical formula of this chemical is C6H5N3S.
Physical properties of 2,1,3-Benzothiadiazol-5-amine: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 57.26 Å2; (7)Index of Refraction: 1.785; (8)Molar Refractivity: 42.89 cm3; (9)Molar Volume: 101.7 cm3; (10)Polarizability: 17×10-24cm3; (11)Surface Tension: 84.3 dyne/cm; (12)Density: 1.485 g/cm3; (13)Flash Point: 137.1 °C; (14)Enthalpy of Vaporization: 54.33 kJ/mol; (15)Boiling Point: 303 °C at 760 mmHg; (16)Vapour Pressure: 0.000955 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 2,1,3-Benzothiadiazol-5-amine irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: n1snc2cc(ccc12)N
(2)InChI: InChI=1/C6H5N3S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,7H2
(3)InChIKey: JRJPKRSKPOCUEV-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H5N3S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,7H2
(5)Std. InChIKey: JRJPKRSKPOCUEV-UHFFFAOYSA-N