2,4-Dimethylthiazole-5-carboxylic acid
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2,4-Dimethylthiazole-5-carboxylic acid
structure -
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CAS No:
53137-27-2
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Formula:
C6H7NO2S
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Chemical Name:
2,4-Dimethylthiazole-5-carboxylic acid
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Synonyms:
TIMTEC-BB SBB005433;RARECHEM AL BE 1354;AKOS BBS-00004449;AKOS BB-8977;2,4-DIMETHYL-1,3-THIAZOLE-5-CARBOXYLIC ACID;2,4-DIMETHYL-5-THIAZOLECARBOXYLIC ACID;2,4-DIMETHYLTHIAZOLE-5-CARBOXYLIC ACID;IFLAB-BB F1912-0028
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CAS No:
Characteristics
78.4
1.6
1.3±0.1 g/cm3
235 °C (dec.)
306.2ºC at 760mmHg
139.0±22.3 °C
1.585
>23.6 [ug/mL]
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
22-24/25-37/39-26
Xi
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,4-Dimethylthiazole-5-carboxylic acid Use and Manufacturing
2,4-Dimethylthiazole-5-carboxylic acid is a highly functionalized and biased thiazole used for drug discovery.It is used as a heterocyclic building block to specifically modify lead compounds.
Computed Properties
Molecular Weight:157.19
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:157.01974964
Monoisotopic Mass:157.01974964
Topological Polar Surface Area:78.4
Heavy Atom Count:10
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,4-Dimethylthiazole-5-carboxylic acid
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