5-Methylthiazole-4-carboxylic acid - CAS 120237-76-5
Catalog: |
BB054777 |
Product Name: |
5-Methylthiazole-4-carboxylic acid |
CAS: |
120237-76-5 |
Synonyms: |
5-Methyl-thiazole-4-carboxylic acid |
IUPAC Name: | 5-methyl-1,3-thiazole-4-carboxylic acid |
Molecular Weight: | 143.17 |
Molecular Formula: | C5H5NO2S |
Canonical SMILES: | CC1=C(N=CS1)C(=O)O |
InChI: | InChI=1S/C5H5NO2S/c1-3-4(5(7)8)6-2-9-3/h2H,1H3,(H,7,8) |
InChI Key: | OIWNDJQQIMISPC-UHFFFAOYSA-N |
Boiling Point: | 303.6±22.0 °C at 760 mmHg |
Purity: | 98% |
Density: | 1.4±0.1 g/cm3 |
MDL: | MFCD06738813 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.00409958 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.00409958 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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