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69812-30-2

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Basic Information
CAS No.: 69812-30-2
Name: 5-Thiazolesulfonylchloride,2-(acetylamino)-(9CI)
Molecular Structure:
Molecular Structure of 69812-30-2 (5-Thiazolesulfonylchloride,2-(acetylamino)-(9CI))
Formula: C5H5ClN2O3S2
Molecular Weight: 240.691
Synonyms: 2-Acetamidothiazole-5-sulfonylchloride;NSC 508982;
Density: 1.696 g/cm3
PSA: 112.75000
LogP: 2.18280
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Specification

The CAS registry number of 5-Thiazolesulfonylchloride, 2-(acetylamino)- is 69812-30-2. It belongs to the product category of Sulfonylhalide. This chemical is also known as 2-Acetylamino-thiazole-5-sulfonyl chloride. The molecular formula of it is C5H5ClN2O3S2 and molecular weight is 240.6878. Its systematic name and IUPAC name are the same which is called 2-acetamido-1,3-thiazole-5-sulfonyl chloride.

Physical properties about this chemical are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 1.48; (6)ACD/BCF (pH 7.4): 1.41; (7)ACD/KOC (pH 5.5): 46.18; (8)ACD/KOC (pH 7.4): 43.82; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 49.36 cm3; (14)Molar Volume: 141.8 cm3; (15)Surface Tension: 72.7 dyne/cm; (16)Density: 1.696 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ncc(s1)S(Cl)(=O)=O)C
(2)InChI: InChI=1/C5H5ClN2O3S2/c1-3(9)8-5-7-2-4(12-5)13(6,10)11/h2H,1H3,(H,7,8,9)
(3)InChIKey: LYOHVKFYBJLEEP-UHFFFAOYAX