4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid - CAS 26861-97-2
Catalog: |
BB019383 |
Product Name: |
4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid |
CAS: |
26861-97-2 |
Synonyms: |
4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid |
IUPAC Name: | 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid |
Description: | 4-Oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid (CAS# 26861-97-2) is a useful research chemical. |
Molecular Weight: | 201.20 |
Molecular Formula: | C6H7N3O3S |
Canonical SMILES: | C1=NN=C(S1)NC(=O)CCC(=O)O |
InChI: | InChI=1S/C6H7N3O3S/c10-4(1-2-5(11)12)8-6-9-7-3-13-6/h3H,1-2H2,(H,11,12)(H,8,9,10) |
InChI Key: | JYLCXMIWSXYXNE-UHFFFAOYSA-N |
Purity: | 95 % |
Density: | 1.595 g/cm3 |
MDL: | MFCD01357643 |
LogP: | 0.41440 |
Publication Number | Title | Priority Date |
EP-0003960-B1 | 6-substituted thia-aza-compounds, their preparation and pharmaceutical compositions containing them | 19780202 |
US-4399131-A | Cephem derivatives | 19770415 |
FR-2485017-A1 | NEW DERIVATIVES OF CEPHALOSPORINE AND THEIR THERAPEUTIC APPLICATION | 19770402 |
US-4758556-A | Cephem derivatives | 19770402 |
US-5710146-A | Cephem derivatives and processes for their manufacture | 19770402 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.02081227 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.02081227 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 120 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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