Di-tert-butyl disulfide - CAS 110-06-5
Catalog: |
BB002590 |
Product Name: |
Di-tert-butyl disulfide |
CAS: |
110-06-5 |
Synonyms: |
2-(tert-butyldisulfanyl)-2-methylpropane |
IUPAC Name: | 2-(tert-butyldisulfanyl)-2-methylpropane |
Description: | Di-tert-butyl disulfide (CAS# 110-06-5) is a general reagent used in the synthesis of a novel neuropeptide Y (NPY) Y5 receptor antagonist Velneperit) used in the treatment of obesity. |
Molecular Weight: | 178.36 |
Molecular Formula: | C8H18S2 |
Canonical SMILES: | CC(C)(C)SSC(C)(C)C |
InChI: | InChI=1S/C8H18S2/c1-7(2,3)9-10-8(4,5)6/h1-6H3 |
InChI Key: | BKCNDTDWDGQHSD-UHFFFAOYSA-N |
Boiling Point: | 198-204 °C |
Melting Point: | -5 °C |
Purity: | 95 % |
Density: | 0.945 g/cm3 |
Appearance: | Clear pale yellow to yellow liquid |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD00008838 |
LogP: | 3.96480 |
GHS Hazard Statement: | H227 (18.33%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P273, P280, P301+P310, P304+P340, P305+P351+P338, P312, P331, P337+P313, P370+P378, P391, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
20718487 | 20100920 | Reductive metalation of cyclic and acyclic pseudopeptidic bis-disulfides and back conversion of the resulting diamidato/dithiolato complexes to bis-disulfides | Inorganic chemistry |
20517990 | 20100601 | Preparation of DNA and RNA fragments containing guanine N(2)-thioalkyl tethers | Current protocols in nucleic acid chemistry |
20183575 | 20091101 | Synthesis of guanosine and deoxyguanosine phosphoramidites with cross-linkable thioalkyl tethers for direct incorporation into RNA and DNA | Nucleosides, nucleotides & nucleic acids |
19215076 | 20090311 | Synthesis of S-linked alpha(2-->9) octasialic acid via exclusive alpha S-glycosidic bond formation | Journal of the American Chemical Society |
18052192 | 20080104 | Mechanism of thiolate-disulfide interchange reactions in biochemistry | The Journal of organic chemistry |
Complexity: | 80.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.08499292 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.08499292 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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