Ethyl 3-[4-Amino-2-(methylthio)-5-thiazolyl]-3-oxopropanoate - CAS 65095-75-2
Catalog: |
BB032627 |
Product Name: |
Ethyl 3-[4-Amino-2-(methylthio)-5-thiazolyl]-3-oxopropanoate |
CAS: |
65095-75-2 |
Synonyms: |
3-[4-amino-2-(methylthio)-5-thiazolyl]-3-oxopropanoic acid ethyl ester; ethyl 3-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)-3-oxopropanoate |
IUPAC Name: | ethyl 3-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)-3-oxopropanoate |
Description: | Ethyl 3-[4-Amino-2-(methylthio)-5-thiazolyl]-3-oxopropanoate (CAS# 65095-75-2 ) is a useful research chemical. |
Molecular Weight: | 260.33 |
Molecular Formula: | C9H12N2O3S2 |
Canonical SMILES: | CCOC(=O)CC(=O)C1=C(N=C(S1)SC)N |
InChI: | InChI=1S/C9H12N2O3S2/c1-3-14-6(13)4-5(12)7-8(10)11-9(15-2)16-7/h3-4,10H2,1-2H3 |
InChI Key: | BHMXRRCMVOSNQV-UHFFFAOYSA-N |
Boiling Point: | 418.6 °C at 760 mmHg |
Density: | 1.37 g/cm3 |
LogP: | 2.16430 |
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 |
Publication Number | Title | Priority Date |
US-2005159423-A1 | Antibacterial compounds | 20040121 |
US-2007142353-A1 | Antibacterial compounds | 20040121 |
US-7196200-B2 | Antibacterial compounds | 20040121 |
US-7737159-B2 | Antibacterial compounds | 20040121 |
WO-2005075477-A1 | Antibacterial compounds | 20040121 |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.0289346 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.0289346 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 136 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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