methyl 2-aminothiazole-4-carboxylate - CAS 118452-04-3
Catalog: |
BB004107 |
Product Name: |
methyl 2-aminothiazole-4-carboxylate |
CAS: |
118452-04-3 |
Synonyms: |
methyl 2-amino-1,3-thiazole-4-carboxylate |
IUPAC Name: | methyl 2-amino-1,3-thiazole-4-carboxylate |
Description: | methyl 2-aminothiazole-4-carboxylate (CAS# 118452-04-3) is a compound useful in organic synthesis. |
Molecular Weight: | 158.18 |
Molecular Formula: | C5H6N2O2S |
Canonical SMILES: | COC(=O)C1=CSC(=N1)N |
InChI: | InChI=1S/C5H6N2O2S/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3,(H2,6,7) |
InChI Key: | WYVZZWKIKAKUKV-UHFFFAOYSA-N |
Boiling Point: | 298.7 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.408 g/cm3 |
Appearance: | Light yellow to green powder or crystals |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00622441 |
LogP: | 1.09310 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021300912-A1 | Aryl hydrocarbon receptor (ahr) agonists and uses thereof | 20191220 |
WO-2021127302-A1 | 2-(1h-indole-3-carbonyl)-thiazole-4-carboxamide derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders | 20191220 |
WO-2021070132-A1 | Bi-aryl dihydroorotate dehydrogenase inhibitors | 20191010 |
CN-109438437-B | Thiazole ring-containing anticancer compound | 20181224 |
CN-108484443-B | Cyanofluoroamide compound with antibacterial activity and preparation method and application thereof | 20180411 |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.01499861 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.01499861 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 93.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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