4,5-Dimethylthiazole-2-carboxaldehyde - CAS 74531-15-0
Catalog: |
BB035105 |
Product Name: |
4,5-Dimethylthiazole-2-carboxaldehyde |
CAS: |
74531-15-0 |
Synonyms: |
4,5-dimethyl-1,3-thiazole-2-carbaldehyde |
IUPAC Name: | 4,5-dimethyl-1,3-thiazole-2-carbaldehyde |
Description: | 4,5-Dimethylthiazole-2-carboxaldehyde (CAS# 74531-15-0) is a useful research chemical. |
Molecular Weight: | 141.19 |
Molecular Formula: | C6H7NOS |
Canonical SMILES: | CC1=C(SC(=N1)C=O)C |
InChI: | InChI=1S/C6H7NOS/c1-4-5(2)9-6(3-8)7-4/h3H,1-2H3 |
InChI Key: | RRBIYJOEJILQJE-UHFFFAOYSA-N |
Boiling Point: | 260 °C |
Density: | 1.213 g/cm3 |
LogP: | 1.57240 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3816152-A1 | Specific materials used for the detection of at least one alkaline element | 20191029 |
US-2021122837-A1 | Specific materials that can be used for the detection of at least one alkaline element | 20191029 |
AU-2016263564-A1 | Triazole agonists of the APJ receptor | 20150520 |
AU-2016263564-B2 | Triazole agonists of the APJ receptor | 20150520 |
CA-2985542-A1 | Triazole agonists of the apj receptor | 20150520 |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.02483502 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.02483502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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