2-Methyl-5-thiazolecarboxylic acid
Properties
- Molecular formula
- C5H5NO2S
- Molar mass
- 143.16 g/mol
- Exact mass
- 143.0041 Da
- Melting point
- 209 °C
- logP
- 1.15Crippen estimate
- Polar surface area
- 50.2 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H303+H313+H333 May be harmful if swallowed, in contact with skin or if inhaled25% of notifiers
- H303 May be harmful if swallowed25% of notifiers
- H313 May be harmful in contact with skin25% of notifiers
- H315 Causes skin irritation75% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H333 May be harmful if inhaled25% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P301+P317, P302+P317, P302+P352, P304+P317, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
40004-69-1SMILES
Cc1ncc(C(=O)O)s1InChIKey
QCXCIYPOMMIBHO-UHFFFAOYSA-NInChI
InChI=1S/C5H5NO2S/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 5-Thiazolecarboxylic acid, 2-methyl-
- RU 21933
- 2-Methyl-1,3-thiazole-5-carboxylic acid
- NSC 170606
Work with 2-Methyl-5-thiazolecarboxylic acid
Similar compounds
2-Bromo-5-thiazolecarboxylic acid54045-76-058 % similar
2-(Trifluoromethyl)thiazole-5-carboxylic acid1286734-84-653 % similar
2-(1,1-Dimethoxyethyl)thiazole-5-carboxylic acid2168221-63-251 % similar
5-Methyl-2-thiophenecarboxylic acid1918-79-247 % similar
2,5-Thiophenedicarboxylic acid4282-31-947 % similar
2-N-Boc-amino-thiazole-5-carboxylic acid302964-02-945 % similar
4,5-Dimethyl-2-thiophenecarboxylic acid40808-24-044 % similar
Dimethyl-1,3-thiazole-5-carboxylic acid53137-27-244 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.