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53572-98-8

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Basic Information
CAS No.: 53572-98-8
Name: Imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 53572-98-8 (Imidazo[2,1-b][1,3]thiazole-6-carboxylic acid)
Formula: C6H4 N2 O2 S
Molecular Weight: 168.1732
Synonyms: CHEMBRDG-BB 4401040;IMIDAZO[2,1-B]THIAZOLE-6-CARBOXYLIC ACID;IMIDAZO[1,2-A]THIAZOLE-6-CARBOXYLIC ACID;IMIDAZO[2,1-B][1,3]THIAZOLE-6-CARBOXYLIC ACID;Imidazo[2,1-b]thiazole-6-carboxylicacidHBr
Density: 1.74 g/cm3
Melting Point: 223 - 224ºC
Boiling Point: °Cat760mmHg
Flash Point: °C
Appearance: Brown Solid
Hazard Symbols:
Risk Codes: R22;R36/37/38   
Safety: 22-26-36/37/39
PSA: 82.84000
LogP: 1.09400
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Chemistry

Molecule structure of Imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CAS NO.53572-98-8):

IUPAC Name: Imidazo[2,1-b][1,3]thiazole-6-carboxylic acid 
Molecular Weight: 168.17316 [g/mol]
Molecular Formula: C6H4N2O2S 
Index of Refraction: 1.809
Molar Refractivity: 41.619 cm3
Molar Volume: 96.579 cm3
Polarizability: 16.499×10-24 cm3
Surface Tension: 82.566 dyne/cm
Density: 1.741 g/cm3 
Melting Point: 223-224 ºC
XLogP3-AA: 1.7
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 167.999348
MonoIsotopic Mass: 167.999348
Topological Polar Surface Area: 54.6
Heavy Atom Count: 11
Complexity: 187
Covalently-Bonded Unit Count: 1
Canonical SMILES: C1=CSC2=NC(=CN21)C(=O)O
InChI: InChI=1S/C6H4N2O2S/c9-5(10)4-3-8-1-2-11-6(8)7-4/h1-3H,(H,9,10)
InChIKey: BAKIBSRDBASFAQ-UHFFFAOYSA-N
Product Categories of Imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CAS NO.53572-98-8): Carboxylic Acids; Carboxylic Acids; Fused Ring Systems

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22-36/37/38 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-26-36/37/39 
S22:Do not breathe dust. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note: Harmful

Specification

 Imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CAS NO.53572-98-8) is also named as Imidazo[2,1-b]thiazole-6-carboxylic acid ; 4-Thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-triene-7-carboxylic acid ; Imidazo[1,2-a]thiazole-6-carboxylic acid .