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CAS No.: | 110130-88-6 |
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Name: | (Z)-2-(2-AMINOTHIAZOL-4-YL)-2-ACETYLOXYIMINOACETIC ACID |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H7N3O4S |
Molecular Weight: | 229.216 |
Synonyms: | 4-thiazoleacetic acid, α-[(acetyloxy)imino]-2-amino-, (αZ)-; |
Density: | 1.698 g/cm3 |
Boiling Point: | 469.468 °C at 760 mmHg |
Flash Point: | 237.726 °C |
PSA: | 143.11000 |
LogP: | 0.65830 |
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The (2E)-[(Acetyloxy)imino](2-amino-1,3-thiazol-4-yl)ethanoic acid, with the CAS registry number 110130-88-6, is also known as 4-Thiazoleacetic acid, α-[(acetyloxy)imino]-2-amino-, (alphaE)-. This chemical's molecular formula is C7H7N3O4S and molecular weight is 229.21. What's more, its systematic name is (2E)-[(acetyloxy)imino](2-amino-1,3-thiazol-4-yl)ethanoic acid.
Physical properties of (2E)-[(Acetyloxy)imino](2-amino-1,3-thiazol-4-yl)ethanoic acid are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 7; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 143.11 Å2; (6)Index of Refraction: 1.694; (7)Molar Refractivity: 51.84 cm3; (8)Molar Volume: 134.9 cm3; (9)Surface Tension: 73 dyne/cm; (10)Density: 1.69 g/cm3; (11)Flash Point: 237.7 °C; (12)Enthalpy of Vaporization: 77.1 kJ/mol; (13)Boiling Point: 469.5 °C at 760 mmHg; (14)Vapour Pressure: 1.29E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)ON=C(c1csc(n1)N)C(=O)O
(2)InChI: InChI=1S/C7H7N3O4S/c1-3(11)14-10-5(6(12)13)4-2-15-7(8)9-4/h2H,1H3,(H2,8,9)(H,12,13)/b10-5+
(3)InChIKey: OBRMMFBYPFFKFA-BJMVGYQFSA-N