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77628-51-4

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Basic Information
CAS No.: 77628-51-4
Name: 6-METHYLIMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBOXYLIC ACID
Article Data: 5
Molecular Structure:
Molecular Structure of 77628-51-4 (6-METHYLIMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBOXYLIC ACID)
Formula: C7H6N2O2S
Molecular Weight: 182.203
Synonyms: 6-Methylimidazo[2,1-b][1,3]thiazole-5-carboxylicacid;6-Methylimidazo[2,1-b]thiazole-5-carboxylic acid;NSC 315239;NSC 315244;
Density: 1.62 g/cm3
Melting Point: 164 °C
Hazard Symbols: IrritantXi
Risk Codes: 36-43
Safety: 26-36/37
PSA: 82.84000
LogP: 1.40240
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Specification

The 6-Methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid, with the cas registry number 77628-51-4, is also called imidazo[2,1-b]thiazole-5-carboxylic acid, 6-methyl-. It belongs to the following product categories: Carboxylic Acids; Carboxylic Acids; Fused Ring Systems. And the molecular formula of the chemical is C7H6N2O2S.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 71.84 Å2; (7)Index of Refraction: 1.76; (8)Molar Refractivity: 46.04 cm3; (9)Molar Volume: 111.8 cm3; (10)Polarizability: 18.25×10-24cm3; (11)Surface Tension: 68.8 dyne/cm; (12)Density: 1.62 g/cm3.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1n2ccsc2nc1C
(2)InChI: InChI=1/C7H6N2O2S/c1-4-5(6(10)11)9-2-3-12-7(9)8-4/h2-3H,1H3,(H,10,11)
(3)InChIKey: VSQMBZXCDDTZAF-UHFFFAOYAI