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CAS No.: | 127346-42-3 |
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Name: | 4-AMINO-2-METHYLTHIO-5-NITROTHIAZOLE |
Molecular Structure: | |
Formula: | C4H5N3O2S2 |
Molecular Weight: | 191.23 |
Synonyms: | 2-(Methylsulfanyl)-5-nitrothiazole-4-amine;4-Amino-2-methylthio-5-nitrothiazole; |
Density: | 1.61 g/cm3 |
Melting Point: | 175-180 °C |
Boiling Point: | 411.5 °C at 760 mmHg |
Flash Point: | 202.7 °C |
PSA: | 138.27000 |
LogP: | 2.45980 |
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The CAS register number of 4-Thiazolamine,2-(methylthio)-5-nitro- is 127346-42-3. It also can be called as 4-Amino-2-methylthio-5-nitrothiazole and the IUPAC name about this chemical is 2-methylsulfanyl-5-nitro-1,3-thiazol-4-amine. The molecular formula about this chemical is C4H5N3O2S2 and the molecular weight is 191.23.
Physical properties about 4-Thiazolamine,2-(methylthio)-5-nitro- are: (1)ACD/LogP: 1.40; (2)ACD/LogD (pH 5.5): 1.4; (3)ACD/LogD (pH 7.4): 1.4; (4)ACD/BCF (pH 5.5): 6.8; (5)ACD/BCF (pH 7.4): 6.8; (6)ACD/KOC (pH 5.5): 137.28; (7)ACD/KOC (pH 7.4): 137.3; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 115.49 Å2; (12)Index of Refraction: 1.682; (13)Molar Refractivity: 44.98 cm3; (14)Molar Volume: 118.7 cm3; (15)Polarizability: 17.83x10-24cm3; (16)Surface Tension: 85.9 dyne/cm; (17)Density: 1.61 g/cm3; (18)Flash Point: 202.7 °C; (19)Enthalpy of Vaporization: 66.4 kJ/mol; (20)Boiling Point: 411.5 °C at 760 mmHg; (21)Vapour Pressure: 5.54E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1sc(SC)nc1N
(2)InChI: InChI=1/C4H5N3O2S2/c1-10-4-6-2(5)3(11-4)7(8)9/h5H2,1H3
(3)InChIKey: ZPCLHYJMLDEAHT-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C4H5N3O2S2/c1-10-4-6-2(5)3(11-4)7(8)9/h5H2,1H3
(5)Std. InChIKey: ZPCLHYJMLDEAHT-UHFFFAOYSA-N