Methyl 4-Sulfanylbutanoate - CAS 39257-91-5
Catalog: |
BB056368 |
Product Name: |
Methyl 4-Sulfanylbutanoate |
CAS: |
39257-91-5 |
Synonyms: |
4-Mercaptobutyric Acid Methyl Ester; Methyl 4-Mercaptobutanoate; Methyl 4-Mercaptobutyrate; Methyl γ-Mercaptobutyrate |
IUPAC Name: | methyl 4-sulfanylbutanoate |
Description: | Methyl 4-Sulfanylbutanoate (cas# 39257-91-5) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 134.19 |
Molecular Formula: | C5H10O2S |
Canonical SMILES: | COC(=O)CCCS |
InChI: | InChI=1S/C5H10O2S/c1-7-5(6)3-2-4-8/h8H,2-4H2,1H3 |
InChI Key: | YRIAPEVGKLRGHX-UHFFFAOYSA-N |
References: | Escher, I., et al. Science of Synthesis, 25, 733 (2007); Ikemoto, T., et al. Tetrahedron, 60, 10851 (2004). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
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 |
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PMID | Publication Date | Title | Journal |
22726261 | 20120901 | Variability in the concentrations of volatile metabolites emitted by genotypically different strains of Pseudomonas aeruginosa | Journal of applied microbiology |
19110065 | 20090301 | Carboxylesterase activity, cDNA sequence, and gene expression in malathion susceptible and resistant strains of the cotton aphid, Aphis gossypii | Comparative biochemistry and physiology. Part B, Biochemistry & molecular biology |
11928962 | 20011101 | L-methionine degradation potentialities of cheese-ripening microorganisms | The Journal of dairy research |
Complexity: | 72.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.04015073 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.04015073 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 27.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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