4,5-Dihydro-3(2H)-thiophenone - CAS 1003-04-9
Catalog: |
BB000164 |
Product Name: |
4,5-Dihydro-3(2H)-thiophenone |
CAS: |
1003-04-9 |
Synonyms: |
thiolan-3-one |
IUPAC Name: | thiolan-3-one |
Description: | 4,5-Dihydro-3(2H)-thiophenone (CAS# 1003-04-9) is a useful research chemical. |
Molecular Weight: | 102.15 |
Molecular Formula: | C4H6OS |
Canonical SMILES: | C1CSCC1=O |
InChI: | InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2 |
InChI Key: | DSXFPRKPFJRPIB-UHFFFAOYSA-N |
Boiling Point: | 175 °C |
Density: | 1.194 g/cm3 |
Solubility: | 1.924e+005 mg/L at 25 °C (est) |
Appearance: | Liquid |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00005412 |
LogP: | 0.69240 |
GHS Hazard Statement: | H302 (93.54%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021046434-A | A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them. | 20201207 |
JP-2021054833-A | A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them. | 20201207 |
JP-2021054834-A | A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them. | 20201207 |
CN-112321440-A | Amino phenyl ketone compound and preparation method and application thereof | 20200930 |
CN-112321440-B | Amino phenyl ketone compound and preparation method and application thereof | 20200930 |
PMID | Publication Date | Title | Journal |
17226866 | 20070101 | Stereoselective biocatalytic synthesis of (S)-2-hydroxy-2-methylbutyric acid via substrate engineering by using 'thio-disguised' precursors and oxynitrilase catalysis | Chemistry (Weinheim an der Bergstrasse, Germany) |
16971130 | 20061215 | Structure-activity studies of cyclic ketone inhibitors of the serine protease plasmin: design, synthesis, and biological activity | Bioorganic & medicinal chemistry |
15691743 | 20050201 | Production of volatile organic sulfur compounds (VOSCs) by basidiomycetous yeasts | FEMS yeast research |
12475289 | 20021218 | A model system study of the inhibition of heterocyclic aromatic amine formation by organosulfur compounds | Journal of agricultural and food chemistry |
11485452 | 20010810 | Carbanion-induced base-catalyzed synthesis of 1H-isothiochromenes, benzo[c]thiochromenes through ring-transformation reactions of 6-aryl-2H-pyran-2-ones | The Journal of organic chemistry |
Complexity: | 69.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 102.01393598 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 102.01393598 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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