(methanesulfinylsulfanyl)methane - CAS 13882-12-7
Catalog: |
BB055210 |
Product Name: |
(methanesulfinylsulfanyl)methane |
CAS: |
13882-12-7 |
Synonyms: |
(methanesulfinylsulfanyl)methane; S-Methyl methanesulfinothioate; Dimethyl thiosulfinate; Methyl methanethiosulfinate; S-Methyl methanethiosulfinate; methylsulfinylsulfanylmethane; Methyl methane thiosulphinate; S-Methyl thiomethanesulfinate |
IUPAC Name: | methylsulfinylsulfanylmethane |
Description: | (methanesulfinylsulfanyl)methane (cas# 13882-12-7) is a useful research chemical. |
Molecular Weight: | 110.19 |
Molecular Formula: | C2H6OS2 |
Canonical SMILES: | CSS(=O)C |
InChI: | InChI=1S/C2H6OS2/c1-4-5(2)3/h1-2H3 |
InChI Key: | RRGUMJYEQDVBFP-UHFFFAOYSA-N |
Boiling Point: | 202.90 °C at 760.00 mm Hg (est) |
Solubility: | 7.66e+004 mg/l at 25 °C (est) |
LogP: | -0.300 (est) |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
18024112 | 20080101 | Thiosulfinates from Allium tuberosum L. induce apoptosis via caspase-dependent and -independent pathways in PC-3 human prostate cancer cells | Bioorganic & medicinal chemistry letters |
15259051 | 20040901 | Inhibitors arrest myofibrillogenesis in skeletal muscle cells at early stages of assembly | Cell motility and the cytoskeleton |
11802787 | 20020201 | Modulation of the reactivity of the essential cysteine residue of betaine aldehyde dehydrogenase from Pseudomonas aeruginosa | The Biochemical journal |
11388483 | 20010401 | Antibacterial activity of S-methyl methanethiosulfinate and S-methyl 2-propene-1-thiosulfinate from Chinese chive toward Escherichia coli O157:H7 | Bioscience, biotechnology, and biochemistry |
Complexity: | 42.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 109.98600716 |
Formal Charge: | 0 |
Heavy Atom Count: | 5 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 109.98600716 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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