3,4-Diethyl 2-Aminothiophene-3,4-dicarboxylate - CAS 104680-25-3
Catalog: |
BB067894 |
Product Name: |
3,4-Diethyl 2-Aminothiophene-3,4-dicarboxylate |
CAS: |
104680-25-3 |
Synonyms: |
Diethyl 2-Aminothiophene-3,4-dicarboxylate; 2-Aminothiophene-3,4-dicarboxylic Acid Diethyl Ester; 2-Amino-3,4-thiophenedicarboxylic Acid Diethyl Ester |
IUPAC Name: | diethyl 2-aminothiophene-3,4-dicarboxylate |
Description: | 3,4-Diethyl 2-Aminothiophene-3,4-dicarboxylate |
Molecular Weight: | 243.28 |
Molecular Formula: | C10H13NO4S |
Canonical SMILES: | CCOC(=O)C1=CSC(=C1C(=O)OCC)N |
InChI: | InChI=1S/C10H13NO4S/c1-3-14-9(12)6-5-16-8(11)7(6)10(13)15-4-2/h5H,3-4,11H2,1-2H3 |
InChI Key: | PUNYRKPPRGWNOC-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.05652907 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.05652907 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 107Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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