1-(5-Chloro-3-thienyl)ethanone - CAS 58119-67-8
Catalog: |
BB029939 |
Product Name: |
1-(5-Chloro-3-thienyl)ethanone |
CAS: |
58119-67-8 |
Synonyms: |
1-(5-chloro-3-thiophenyl)ethanone; 1-(5-chlorothiophen-3-yl)ethanone |
IUPAC Name: | 1-(5-chlorothiophen-3-yl)ethanone |
Description: | 1-(5-Chloro-3-thienyl)ethanone (CAS# 58119-67-8) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 160.62 |
Molecular Formula: | C6H5ClOS |
Canonical SMILES: | CC(=O)C1=CSC(=C1)Cl |
InChI: | InChI=1S/C6H5ClOS/c1-4(8)5-2-6(7)9-3-5/h2-3H,1H3 |
InChI Key: | CPHPSPVYDLDWBL-UHFFFAOYSA-N |
MDL: | MFCD00082792 |
LogP: | 2.60410 |
Publication Number | Title | Priority Date |
CN-109422720-B | Preparation method of low-cost and high-purity 5-chlorothiophene-2-formyl chloride | 20170822 |
US-2017283420-A1 | Indoline analogs and uses thereof | 20160331 |
US-2017349600-A1 | Indoline analogs and uses thereof | 20160331 |
KR-101564401-B1 | Process for the preparation of brinzolamide | 20140410 |
KR-20150117745-A | Process for the preparation of brinzolamide | 20140410 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.9749636 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.9749636 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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