Ethyl 2-thiopheneacetate - CAS 57382-97-5
Catalog: |
BB029686 |
Product Name: |
Ethyl 2-thiopheneacetate |
CAS: |
57382-97-5 |
Synonyms: |
ethyl 2-thiophen-2-ylacetate |
IUPAC Name: | ethyl 2-thiophen-2-ylacetate |
Description: | Ethyl 2-thiopheneacetate (CAS# 57382-97-5) is a useful research chemical. |
Molecular Weight: | 170.23 |
Molecular Formula: | C8H10O2S |
Canonical SMILES: | CCOC(=O)CC1=CC=CS1 |
InChI: | InChI=1S/C8H10O2S/c1-2-10-8(9)6-7-4-3-5-11-7/h3-5H,2,6H2,1H3 |
InChI Key: | QSUANHXENVRFDN-UHFFFAOYSA-N |
Boiling Point: | 119-121 °C (23 mmHg) |
Purity: | 95 % |
Density: | 1.134 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00005457 |
LogP: | 1.85370 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113292576-A | Triphenylamine-based photo-thermal small molecule and preparation method and application thereof | 20210608 |
CN-108947960-A | A kind of synthetic method of 2- thiophen acetyl chloride | 20181027 |
CN-108947960-B | Synthetic method of 2-thiopheneacetyl chloride | 20181027 |
AU-2018362010-A1 | Azabicyclo and diazepine derivatives for treating ocular disorders | 20171103 |
CA-3076457-A1 | Azabicyclo and diazepine derivatives for treating ocular disorders | 20171103 |
PMID | Publication Date | Title | Journal |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.04015073 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.04015073 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 54.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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