Ethyl-2-amino-benzo(b)thiophene-3-carboxylate - CAS 7311-95-7
Catalog: |
BB043233 |
Product Name: |
Ethyl-2-amino-benzo(b)thiophene-3-carboxylate |
CAS: |
7311-95-7 |
Synonyms: |
Ethyl 2-aminobenzo[b]thiophene-3-carboxylate; 2-Amino-benzo[b]thiophene-3-carboxylic acid ethyl ester |
IUPAC Name: | ethyl 2-amino-1-benzothiophene-3-carboxylate |
Description: | Ethyl-2-amino-benzo(b)thiophene-3-carboxylate (CAS# 7311-95-7 ) is a useful research chemical. |
Molecular Weight: | 221.28 |
Molecular Formula: | C11H11NO2S |
Canonical SMILES: | CCOC(=O)C1=C(SC2=CC=CC=C21)N |
InChI: | InChI=1S/C11H11NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h3-6H,2,12H2,1H3 |
InChI Key: | XNASJEQIJMDBQN-UHFFFAOYSA-N |
Purity: | 97.0 % |
MDL: | MFCD00102506 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
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: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.05104977 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.05104977 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 80.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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