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Name |
Methyl 4-hydroxy-2H-thieno[2,3-e][1,2]thiazine-3-carboxylate 1,1-dioxide |
EINECS | 619-376-8 |
CAS No. | 98827-44-2 | Density | 1.716 g/cm3 |
PSA | 129.32000 | LogP | 1.84920 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H7NO5S2 | Boiling Point | 464.2 °C at 760 mmHg |
Molecular Weight | 261.279 | Flash Point | 234.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl 4-hydroxy-1,1-dioxo-2H-thiopheno[2,3-e]1,2-thiazine-3-carboxylate; |
Article Data | 5 |
The 2H-Thieno[2,3-e]-1,2-thiazine-3-carboxylicacid, 4-hydroxy-, methyl ester, 1,1-dioxide, with the CAS registry number 98827-44-2, is also known as Methyl 4-hydroxy-1,1-dioxo-2H-thiopheno[2,3-e]1,2-thiazine-3-carboxylate. This chemical's molecular formula is C8H7NO5S2 and molecular weight is 261.27. Its IUPAC name is called (3Z)-3-[hydroxy(methoxy)methylidene]-1,1-dioxothieno[2,3-e]thiazin-4-one.
Physical properties of 2H-Thieno[2,3-e]-1,2-thiazine-3-carboxylicacid, 4-hydroxy-, methyl ester, 1,1-dioxide: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.15; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.667; (11)Molar Refractivity: 56.68 cm3; (12)Molar Volume: 152.2 cm3; (13)Surface Tension: 75 dyne/cm; (14)Density: 1.716 g/cm3; (15)Flash Point: 234.6 °C; (16)Enthalpy of Vaporization: 76.45 kJ/mol; (17)Boiling Point: 464.2 °C at 760 mmHg; (18)Vapour Pressure: 2.04E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=C1C(=O)C2=C(C=CS2)S(=O)(=O)N1)O
(2)Isomeric SMILES: CO/C(=C\1/C(=O)C2=C(C=CS2)S(=O)(=O)N1)/O
(3)InChI: InChI=1S/C8H7NO5S2/c1-14-8(11)5-6(10)7-4(2-3-15-7)16(12,13)9-5/h2-3,9,11H,1H3/b8-5-
(4)InChIKey: ZRQVRKZAEDXASD-YVMONPNESA-N