Ethyl 2-(allylamino)-4-methylthiazole-5-carboxylate - CAS 6721-80-8
Catalog: |
BB048605 |
Product Name: |
Ethyl 2-(allylamino)-4-methylthiazole-5-carboxylate |
CAS: |
6721-80-8 |
Synonyms: |
ethyl 4-methyl-2-[(prop-2-en-1-yl)amino]-1,3-thiazole-5-carboxylate; Ethyl 2-Allylamino-4-methyl-thiazole-5-carboxylate; 2-Allylamino-4-methyl-thiazole-5-carboxylic acid ethyl ester; 5-Thiazolecarboxylic acid, 4-methyl-2-(2-propen-1-ylamino)-, ethyl ester |
IUPAC Name: | ethyl 4-methyl-2-(prop-2-enylamino)-1,3-thiazole-5-carboxylate |
Description: | Ethyl 2-(allylamino)-4-methylthiazole-5-carboxylate (CAS# 6721-80-8 ) is a useful research chemical. |
Molecular Weight: | 226.30 |
Molecular Formula: | C10H14N2O2S |
Canonical SMILES: | CCOC(=O)C1=C(N=C(S1)NCC=C)C |
InChI: | InChI=1S/C10H14N2O2S/c1-4-6-11-10-12-7(3)8(15-10)9(13)14-5-2/h4H,1,5-6H2,2-3H3,(H,11,12) |
InChI Key: | LOGDHFSRTYALOP-UHFFFAOYSA-N |
Boiling Point: | 320.9±44.0 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.07759887 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.07759887 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 79.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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