2-Amino-5-nitro-4-methyl-1,3-thiazole supplier

Name
2-Amino-5-nitro-4-methyl-1,3-thiazole
EINECS
CAS No. 56682-07-6
Article Data6
CAS DataBase
Density 1.552g/cm³
Solubility
Melting Point 205-207 °C
Formula C₄H₅N₃O₂S
Boiling Point 337.7 °C at 760 mmHg
Molecular Weight 159.17
Flash Point 158 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-AMINO-5-NITRO-4-METHYL-1,3-THIAZOLE;4-METHYL-5-NITRO-2-THIAZOLAMINE;4-Methyl-5-nitro-2-thiazoleaMine;4-Methyl-5-nitrothiazol-2-aMine
PSA 112.97000
LogP 2.04630

2-Amino-5-nitro-4-methyl-1,3-thiazole Specification

The 2-Amino-5-nitro-4-methyl-1,3-thiazole, with CAS registry number 56682-07-6, has the systematic name of 4-methyl-5-nitro-1,3-thiazol-2-amine. Besides this, it is also called 4-Methyl-5-nitro-2-thiazolamine. And the chemical formula of this chemical is C₄H₅N₃O₂S.

Physical properties of 2-Amino-5-nitro-4-methyl-1,3-thiazole: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.62; (6)ACD/BCF (pH 7.4): 5.63; (7)ACD/KOC (pH 5.5): 119.78; (8)ACD/KOC (pH 7.4): 119.9; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 90.19 Å²; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 38.33 cm³; (15)Molar Volume: 102.5 cm³; (16)Polarizability: 15.19×10^-24cm³; (17)Surface Tension: 76.8 dyne/cm; (18)Density: 1.552 g/cm³; (19)Flash Point: 158 °C; (20)Enthalpy of Vaporization: 58.09 kJ/mol; (21)Boiling Point: 337.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000103 mmHg at 25°C.

Preparation: this chemical can be prepared by mu-disulfido-dicarbonic acid dinitrile and 1-nitro-2-amino-1-propene. This reaction will need solvent CH₂Cl₂. The reaction time is 4 hour(s). The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1sc(nc1C)N
(2)InChI: InChI=1/C4H5N3O2S/c1-2-3(7(8)9)10-4(5)6-2/h1H3,(H2,5,6)
(3)InChIKey: NDWBXTNRCBNGAK-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C4H5N3O2S/c1-2-3(7(8)9)10-4(5)6-2/h1H3,(H2,5,6)
(5)Std. InChIKey: NDWBXTNRCBNGAK-UHFFFAOYSA-N

Product Name

2-Amino-5-nitro-4-methyl-1,3-thiazole

2-Amino-5-nitro-4-methyl-1,3-thiazole Specification

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