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| CAS No.: | 39222-73-6 | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Name: | 2-AMINO-5-TERT-BUTYL-1,3,4-THIADIAZOLE | ||||||||
| Article Data: | 11 | ||||||||
| Molecular Structure: | |||||||||
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| Formula: | C6H11 N3 S | ||||||||
| Molecular Weight: | 157.239 | ||||||||
| Synonyms: | 1,3,4-Thiadiazole,2-amino-5-tert-butyl- (6CI); (5-tert-Butyl-[1,3,4]thiadiazol-2-yl)amine;2-Amino-4-tert-butyl-1,3,4-thiadiazole; 2-Amino-5-tert-butyl-1,3,4-thiadiazole;2-tert-Butyl-5-amino-1,3,4-thiadiazole;5-(tert-Butyl)-[1,3,4]thiadiazole-2-amine;5-Amino-2-tert-butyl-1,3,4-thiadiazole; 5-Tert-butyl-1,3,4-thiadiazol-2-amine;5-tert-Butyl-1,3,4-thiadiazol-2-amine; 5-tert-Butyl-2-amino-1,3,4-thiadiazole;Buthidazolamine; N-(5-tert-Butyl-[1,3,4]thiadiazol-2-yl)amine | ||||||||
| Density: | 1.17g/cm3 | ||||||||
| Melting Point: |
183-187 °C(lit.) |
||||||||
| Boiling Point: | 272.3°Cat760mmHg | ||||||||
| Flash Point: | 118.5°C | ||||||||
| Appearance: | Yellow Crystalline Solid | ||||||||
| Hazard Symbols: |
 
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| Risk Codes: | 20/22 | ||||||||
| Safety: |
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| PSA: | 80.04000 | ||||||||
| LogP: | 1.99900 | ||||||||
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Chemistry
Molecular Structure of 2-Amino-5-tert-butyl-1,3,4-thiadiazole (CAS No.39222-73-6):
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Molecular Formula: C6H11N3S
Molecular Weight: 157.2366
IUPAC Name: 5-Tert-butyl-1,3,4-thiadiazol-2-amine
CAS No: 39222-73-6
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 57.26 Å2
Index of Refraction: 1.56
Molar Refractivity: 43.44 cm3
Molar Volume: 134.3 cm3
Polarizability: 17.22 10-24cm3
Surface Tension: 47.4 dyne/cm
Density: 1.17 g/cm3
Flash Point: 118.5 °C
Melting point: 183-187 ºC
Enthalpy of Vaporization: 51.06 kJ/mol
Boiling Point: 272.3 °C at 760 mmHg
Vapour Pressure: 0.00612 mmHg at 25°C
InChI: InChI=1/C6H11N3S /c1-6(2,3)4-8-9-5(7)10-4/h1-3H3,(H2,7,9)
InChIKey: ICXDPEFCLDSXLI-UHFFFAOYAH
Std. InChI: InChI=1S/C6H11N3S /c1-6(2,3)4-8-9-5(7)10-4/h1-3H3,(H2,7,9)
Std. InChIKey: ICXDPEFCLDSXLI-UHFFFAOYSA-N
Synonyms of 2-Amino-5-tert-butyl-1,3,4-thiadiazole (CAS No.39222-73-6): 1,3,4-thiadiazol-2-amine, 5-(1,1-dimethylethyl)- ；5-tert-Butyl-1,3,4-thiadiazol-2-amine
Product Categories: API intermediates;Heterocyclic Compounds;Heterocycles;Building Blocks;Heterocyclic Building Blocks;Thiadiazoles
Safety Profile
Hazard Codes:
Xn,
Xi
Risk Statements:20/22
R20/22:Harmful by inhalation and if swallowed.
Safety Statements:22-26-36
S22:Do not breathe dust.
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany:3
HazardClass:IRRITANT