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Name |
5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol |
EINECS | N/A |
CAS No. | 69480-15-5 | Density | 1.2g/cm3 |
PSA | 80.37000 | LogP | 3.05790 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H15 N3 S | Boiling Point | 312.4°C at 760 mmHg |
Molecular Weight | 233.337 | Flash Point | 142.7°C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-[4-(TERT-BUTYL)PHENYL]-1H-1,2,4-TRIAZOLE-3-THIOL;3h-1,2,4-triazole-3-thione, 5-[4-(1,1-dimethylethyl)phenyl]-1,2-dihydro;5-(4-TERT-BUTYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE;5-(4-(TERT-BUTYL)PHENYL)-1,2,4-TRIAZOLE-3-THIOL |
Article Data | 6 |
Molecular Structure of 5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol (CAS No.69480-15-5):
Molecular Formula: C12H15N3S
Molecular Weight: 233.33
Systematic Name: 5-(4-tert-Butylphenyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione
CAS No: 69480-15-5
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 50.93 Å2
Index of Refraction: 1.63
Molar Refractivity: 69.21 cm3
Molar Volume: 194.3 cm3
Surface Tension: 39.9 dyne/cm
Density: 1.2 g/cm3
Flash Point: 142.7 °C
Enthalpy of Vaporization: 55.34 kJ/mol
Boiling Point: 312.4 °C at 760 mmHg
Vapour Pressure: 0.00053 mmHg at 25°C
InChI: InChI=1/C12H15N3S/c1-12(2,3)9-6-4-8(5-7-9)10-13-11(16)15-14-10/h4-7H,1-3H3,(H2,13,14,15,16)
InChIKey: IOJOIOYNUDYUPU-UHFFFAOYAL
Std. InChI: InChI=1S/C12H15N3S/c1-12(2,3)9-6-4-8(5-7-9)10-13-11(16)15-14-10/h4-7H,1-3H3,(H2,13,14,15,16)
Std. InChIKey: IOJOIOYNUDYUPU-UHFFFAOYSA-N
Product Categories: Aromatics
Hazard Codes: Xi
Hazard Note: Irritant
5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol (CAS No.69480-15-5), it also can be called 1H-1,2,4-Triazole-3-thiol, 5-[4-(1,1-dimethylethyl)phenyl]- ; 1H-1,2,4-Triazole-5-thiol, 3-[4-(1,1-dimethylethyl)phenyl]- ; 3-(4-tert-Butylphenyl)-1H-1,2,4-triazole-5-thiol .