CAS No.98827-44-2,METHYL 4-HYDROXY-2H-THIENO[2,3-E]-1,2-THIAZINE-3-CARBOXYLATE-1,1-DIOXIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	98827-44-2
Name:	METHYL 4-HYDROXY-2H-THIENO[2,3-E]-1,2-THIAZINE-3-CARBOXYLATE-1,1-DIOXIDE
Article Data:	5

Formula:	C₈H₇NO₅S₂
Molecular Weight:	261.279
Synonyms:	Methyl 4-hydroxy-1,1-dioxo-2H-thiopheno[2,3-e]1,2-thiazine-3-carboxylate;
EINECS:	619-376-8
Density:	1.716 g/cm³
Boiling Point:	464.2 °C at 760 mmHg
Flash Point:	234.6 °C
PSA:	129.32000
LogP:	1.84920

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Specification

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