2-Cyano-3-(5-methyl-2-thienyl)propionic Acid - CAS 2044707-09-5
Catalog: |
BB015959 |
Product Name: |
2-Cyano-3-(5-methyl-2-thienyl)propionic Acid |
CAS: |
2044707-09-5 |
Synonyms: |
2-cyano-3-(5-methyl-2-thiophenyl)propanoic acid; 2-cyano-3-(5-methylthiophen-2-yl)propanoic acid |
IUPAC Name: | 2-cyano-3-(5-methylthiophen-2-yl)propanoic acid |
Description: | 2-Cyano-3-(5-methyl-2-thienyl)propionic Acid (CAS# 2044707-09-5 ) is a useful research chemical. |
Molecular Weight: | 195.24 |
Molecular Formula: | C9H9NO2S |
Canonical SMILES: | CC1=CC=C(S1)CC(C#N)C(=O)O |
InChI: | InChI=1S/C9H9NO2S/c1-6-2-3-8(13-6)4-7(5-10)9(11)12/h2-3,7H,4H2,1H3,(H,11,12) |
InChI Key: | MXVQFZBJRRYIEY-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
EP-0019946-A1 | Dihydrothiazine derivatives, their preparation, their inclusion in anthelmintic and pesticidal compositions and their use as anthelmintics and pesticides | 19790523 |
US-4279903-A | Diphydrothiazine derivatives | 19790523 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.0353997 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.0353997 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 89.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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