4-Thiazolamine,2-(methylthio)-5-nitro- supplier

Name
4-AMINO-2-METHYLTHIO-5-NITROTHIAZOLE
EINECS
CAS No. 127346-42-3
Density 1.61 g/cm³
Solubility
Melting Point 175-180 °C
Formula C₄H₅N₃O₂S₂
Boiling Point 411.5 °C at 760 mmHg
Molecular Weight 191.23
Flash Point 202.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Methylsulfanyl)-5-nitrothiazole-4-amine;4-Amino-2-methylthio-5-nitrothiazole;
PSA 138.27000
LogP 2.45980

4-Thiazolamine,2-(methylthio)-5-nitro- Specification

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

Product Name

4-AMINO-2-METHYLTHIO-5-NITROTHIAZOLE

4-Thiazolamine,2-(methylthio)-5-nitro- Specification

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