Ethyl 2-amino-α-(hydroxyimino)-4-thiazoleacetate, predominantly syn - CAS 64485-82-1
Catalog: |
BB032478 |
Product Name: |
Ethyl 2-amino-α-(hydroxyimino)-4-thiazoleacetate, predominantly syn |
CAS: |
64485-82-1 |
Synonyms: |
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate |
IUPAC Name: | ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate |
Description: | Ethyl 2-amino-α-(hydroxyimino)-4-thiazoleacetate, predominantly syn (CAS# 64485-82-1) is a pharmaceutical intermediate and a compound for organic synthesis and other chemicals. |
Molecular Weight: | 215.23 |
Molecular Formula: | C7H9N3O3S |
Canonical SMILES: | CCOC(=O)C(=NO)C1=CSC(=N1)N |
InChI: | InChI=1S/C7H9N3O3S/c1-2-13-6(11)5(10-12)4-3-14-7(8)9-4/h3,12H,2H2,1H3,(H2,8,9)/b10-5- |
InChI Key: | BTEPYCPXBCCSDL-YHYXMXQVSA-N |
Boiling Point: | 426.8 °C at 760 mmHg |
Density: | 1.56 g/cm3 |
Appearance: | Yellow to brown crystalline powder |
MDL: | MFCD00010415 |
LogP: | 1.04790 |
GHS Hazard Statement: | H315 (97.5%): 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 |
EP-3630783-A1 | Penicillin-binding protein inhibitors | 20170526 |
US-2020102331-A1 | Penicillin-binding protein inhibitors | 20170526 |
WO-2018218154-A1 | Penicillin-binding protein inhibitors | 20170526 |
WO-2011029596-A1 | Process for preparing 2-aminothiazol-4-yl-acetic acid derivates | 20090911 |
WO-2010123997-A1 | Carbacephem beta-lactam antibiotics | 20090422 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 215.03646233 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.03646233 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 126 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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Related Functional Groups
Oxazole/Thiazole
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