ChemicalBook--->CAS DataBase List--->300831-06-5

300831-06-5

300831-06-5 Structure

300831-06-5 Structure
IdentificationBack Directory
[Name]

4-Isopropylthiazole-2-carboxylic acid
[CAS]

300831-06-5
[Synonyms]

4-(1-Methylethyl)-
4-isopropylthiazole-2-carboxylic acid
4-Isopropyl-1,3-thiazole-2-carboxylic acid
2-Thiazolecarboxylic acid,4-(1-methylethyl)-
4-propan-2-yl-1,3-thiazole-2-carboxylic acid
2-Thiazolecarboxylicacid,4-(1-methylethyl)-(9CI)
4-Isopropyl-thiazole-2-carboxylic acid, min. 95 %
4-isopropyl-1,3-thiazole-2-carboxylic acid(SALTDATA: K-salt 0.2H2O 0.16C2H5OH)
[Molecular Formula]

C7H9NO2S
[MDL Number]

MFCD09864275
[MOL File]

300831-06-5.mol
[Molecular Weight]

171.22
Chemical PropertiesBack Directory
[Boiling point ]

309.4±35.0 °C(Predicted)
[density ]

1.270±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

Solid
[pka]

0.52±0.10(Predicted)
[InChI]

InChI=1S/C7H9NO2S/c1-4(2)5-3-11-6(8-5)7(9)10/h3-4H,1-2H3,(H,9,10)
[InChIKey]

RDWHKWXYJQUZNS-UHFFFAOYSA-N
[SMILES]

S1C=C(C(C)C)N=C1C(O)=O
[CAS DataBase Reference]

300831-06-5
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[HS Code ]

2934100090
Hazard InformationBack Directory
[Uses]

4-Isopropylthiazole-2-carboxylic Acid can be used as a reagent to prepare quinazoline substituted cyclopentane and proline-urea based macrocycles as Hepatitis C virus (HCV) NS3/4A protease inhibitors.
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