CAS No.71461-24-0,(+)-p-Bromotetramisole oxalate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	71461-24-0
Name:	(+)-p-Bromotetramisole oxalate

Formula:	C₁₃H₁₃BrN₂O₄S
Molecular Weight:	373.22
Synonyms:	(R)-6-(p-Bromophenyl)-2,3,5,6-tetrahydroimidazo(2,1-b)thiazole oxalate;(6R)-6-(4-Bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole ethanedioate;(6R)-6-(4-Bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole; oxalic acid;
EINECS:	275-471-0
Density:	1.69g/cm³
Melting Point:	192 °C
Boiling Point:	588.7 °C at 760 mmHg
Flash Point:	309.8 °C
Appearance:	white solid.
PSA:	115.50000
LogP:	1.43770

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Specification

The (+)-P-Bromotetramisole oxalate, with the CAS registry number of 71461-24-0, is also known as (R)-6-(p-Bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole oxalate. It belongs to the product category of Pharmaceutical Raw Materials. Its EINECS registry number is 275-471-0. The molecular formula of this chemical is C₁₃H₁₃BrN₂O₄S and its molecular weight is 373.22. What's more, its IUPAC name is (6R)-6-(4-Bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole; oxalic acid.

Physical properties about (+)-P-Bromotetramisole oxalate are: (1)ACD/LogP: 1.42; (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; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 115.5 Å²; (11)Flash Point: 309.8 °C; (12)Enthalpy of Vaporization: 92.42 kJ/mol; (13)Boiling Point: 588.7 °C at 760 mmHg; (14)Vapour Pressure: 1.06E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)C(O)=O.Brc1ccc(cc1)[C@H]2/N=C3/SCCN3C2
(2) InChI: InChI=1/C11H11BrN2S.C2H2O4/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10;3-1(4)2(5)6/h1-4,10H,5-7H2;(H,3,4)(H,5,6)/t10-;/m0./s1
(3) InChIKey: ZULBIBHDIQCNIS-PPHPATTJBY