Ethyl 2-(Benzo[c][1,2,5]thiadiazol-5-yl)acetate - CAS 195505-47-6
Catalog: |
BB015132 |
Product Name: |
Ethyl 2-(Benzo[c][1,2,5]thiadiazol-5-yl)acetate |
CAS: |
195505-47-6 |
Synonyms: |
2-(2,1,3-benzothiadiazol-5-yl)acetic acid ethyl ester; ethyl 2-(2,1,3-benzothiadiazol-5-yl)acetate |
IUPAC Name: | ethyl 2-(2,1,3-benzothiadiazol-5-yl)acetate |
Description: | Ethyl 2-(Benzo[c][1,2,5]thiadiazol-5-yl)acetate (CAS# 195505-47-6 ) is a useful research chemical. |
Molecular Weight: | 222.26 |
Molecular Formula: | C10H10N2O2S |
Canonical SMILES: | CCOC(=O)CC1=CC2=NSN=C2C=C1 |
InChI: | InChI=1S/C10H10N2O2S/c1-2-14-10(13)6-7-3-4-8-9(5-7)12-15-11-8/h3-5H,2,6H2,1H3 |
InChI Key: | AAZNXGHXCQJHGD-UHFFFAOYSA-N |
LogP: | 1.79690 |
Publication Number | Title | Priority Date |
AU-2006281700-A1 | 1-acyldihydropyrazol derivatives | 20050816 |
AU-2006281700-B2 | 1-acyldihydropyrazol derivatives | 20050816 |
CA-2619039-A1 | 1-acyldihydropyrazole derivatives | 20050816 |
CA-2619039-C | 1-acyldihydropyrazole derivatives | 20050816 |
DE-102005038537-A1 | 1-Acyldihydropyrazolderivate | 20050816 |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.04629874 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.04629874 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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