Ethyl thioglycolate - CAS 623-51-8
Catalog: |
BB031544 |
Product Name: |
Ethyl thioglycolate |
CAS: |
623-51-8 |
Synonyms: |
ethyl 2-sulfanylacetate |
IUPAC Name: | ethyl 2-sulfanylacetate |
Description: | Ethyl thioglycolate (CAS# 623-51-8) is an off-odor compound in white wine and an eye irritant. |
Molecular Weight: | 120.17 |
Molecular Formula: | C4H8O2S |
Canonical SMILES: | CCOC(=O)CS |
InChI: | InChI=1S/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H3 |
InChI Key: | PVBRSNZAOAJRKO-UHFFFAOYSA-N |
Boiling Point: | 54 °C (12 torr) |
Melting Point: | -80 °C |
Purity: | 95 % |
Density: | 1.09 g/cm3 |
Appearance: | Colourless liquid |
Storage: | Flammables area |
MDL: | MFCD00004874 |
LogP: | 0.47930 |
GHS Hazard Statement: | H226 (97.96%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P310, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113429422-A | Thienoquinolone compound and preparation method and application thereof | 20210726 |
CN-113292479-A | Preparation method of 5-azaspiro [2.4] heptane and salt thereof | 20210527 |
CN-113215628-A | Electroplating solution and application thereof | 20210506 |
CN-113089044-A | Plastic shell metallization electroplating method and wear-resistant plastic | 20210407 |
CN-112981470-A | Electroforming copper solution, preparation method and application thereof, and copper electrode | 20210205 |
PMID | Publication Date | Title | Journal |
33358762 | 20210301 | The EyeIRR-IS assay: Development and evaluation of an in vitro assay to measure the eye irritation sub-categorization of liquid chemicals | Toxicology in vitro : an international journal published in association with BIBRA |
22245853 | 20120218 | Rapid consecutive three-component coupling-Fiesselmann synthesis of luminescent 2,4-disubstituted thiophenes and oligothiophenes | Chemical communications (Cambridge, England) |
21950657 | 20111027 | Discovery of 2-(4-methylfuran-2(5H)-ylidene)malononitrile and thieno[3,2-b]thiophene-2-carboxylic acid derivatives as G protein-coupled receptor 35 (GPR35) agonists | Journal of medicinal chemistry |
21819121 | 20110928 | Identification of ethyl 2-sulfanylacetate as an important off-odor compound in white wines | Journal of agricultural and food chemistry |
19914586 | 20091201 | Chemo-enzymatic synthesis of polyhydroxyalkanoate by an improved two-phase reaction system (TPRS) | Journal of bioscience and bioengineering |
Complexity: | 62.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 120.02450067 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 120.02450067 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 27.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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