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Name |
2-Thiazolamine,4-(3-aminophenyl)- |
EINECS | N/A |
CAS No. | 103740-34-7 | Density | 1.347 g/cm3 |
PSA | 93.17000 | LogP | 3.13690 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H9N3S | Boiling Point | 458 °C at 760 mmHg |
Molecular Weight | 191.257 | Flash Point | 230.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Thiazole,2-amino-4-(m-aminophenyl)- (6CI);NSC 38926;[4-(3-Aminophenyl)thiazol-2-yl]amine; |
Article Data | 8 |
The 2-Thiazolamine,4-(3-aminophenyl)- is an organic compound with the formula C9H9N3S. The IUPAC name of this chemical is 4-(3-Aminophenyl)-1,3-thiazol-2-amine. With the CAS registry number 103740-34-7, it is also named as 4-(3-Amino-phenyl)-thiazol-2-ylamine. Besides, its molecular weight is 191.25.
The physical properties of 2-Thiazolamine,4-(3-aminophenyl)- are: (1)ACD/LogP: 0.58; (2)ACD/LogD (pH 5.5): 0.25; (3)ACD/LogD (pH 7.4): 0.57; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.59; (6)ACD/KOC (pH 5.5): 23.14; (7)ACD/KOC (pH 7.4): 48.42; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 47.61 Å2; (12)Index of Refraction: 1.715; (13)Molar Refractivity: 55.79 cm3; (14)Molar Volume: 141.9 cm3; (15)Polarizability: 22.11×10-24 cm3; (16)Surface Tension: 69.2 dyne/cm; (17)Density: 1.347 g/cm3; (18)Flash Point: 230.8 °C; (19)Enthalpy of Vaporization: 71.82 kJ/mol; (20)Boiling Point: 458 °C at 760 mmHg; (21)Vapour Pressure: 1.42E-08 mmHg at 25 °C.
Preparation: this chemical can be prepared by 1-(3-Amino-phenyl)-ethanone and Thiourea. This reaction will need reagent iodine and solvent ethanol. The reaction time is 14 hours. The yield is about 89%.
You can still convert the following datas into molecular structure:
(1)SMILES: n2c(c1cc(N)ccc1)csc2N
(2)InChI: InChI=1/C9H9N3S/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H,10H2,(H2,11,12)
(3)InChIKey: NCWQWEQGANDQFS-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H9N3S/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H,10H2,(H2,11,12)
(5)Std. InChIKey: NCWQWEQGANDQFS-UHFFFAOYSA-N