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Name |
Hydrazinecarbothioamide,N-(1,1-dimethylethyl)- |
EINECS | N/A |
CAS No. | 13431-39-5 | Density | 1.071 g/cm3 |
PSA | 82.17000 | LogP | 1.60480 |
Solubility | Insoluble in water. | Melting Point |
139-140°C |
Formula | C5H13N3S | Boiling Point | 211 °C at 760 mmHg |
Molecular Weight | 147.244 | Flash Point | 81.4 °C |
Transport Information | UN 2811 | Appearance | N/A |
Safety | Risk Codes | R22 | |
Molecular Structure | Hazard Symbols | R22:Harmful if swallowed.; | |
Synonyms |
N-(1,1-Dimethylethyl)hydrazinecarbothioamide;B 1179;4-tert-Butyl-3-thiosemicarbazide;4-tert-Butylthiosemicarbazide;Semicarbazide,4-tert-butyl-3-thio- (6CI,7CI,8CI); |
Article Data | 13 |
The Hydrazinecarbothioamide,N-(1,1-dimethylethyl)-, with CAS registry number 13431-39-5, has the systematic name of N-tert-butylhydrazinecarbothioamide. Besides this, it is also called 4-Tert-Butyl-3-thiosemicarbazide. And the chemical formula of this chemical is C5H13N3S.
Physical properties of Hydrazinecarbothioamide,N-(1,1-dimethylethyl)-: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.41; (4)ACD/LogD (pH 7.4): 0.41; (5)ACD/BCF (pH 5.5): 1.2; (6)ACD/BCF (pH 7.4): 1.2; (7)ACD/KOC (pH 5.5): 39.74; (8)ACD/KOC (pH 7.4): 39.69; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.81 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 43.19 cm3; (15)Molar Volume: 137.4 cm3; (16)Polarizability: 17.12×10-24cm3; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.071 g/cm3; (19)Flash Point: 81.4 °C; (20)Enthalpy of Vaporization: 44.73 kJ/mol; (21)Boiling Point: 211 °C at 760 mmHg; (22)Vapour Pressure: 0.187 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C(NN)NC(C)(C)C
(2)InChI: InChI=1/C5H13N3S/c1-5(2,3)7-4(9)8-6/h6H2,1-3H3,(H2,7,8,9)
(3)InChIKey: ZUWRCNZOBNETMU-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C5H13N3S/c1-5(2,3)7-4(9)8-6/h6H2,1-3H3,(H2,7,8,9)
(5)Std. InChIKey: ZUWRCNZOBNETMU-UHFFFAOYSA-N