S-tert-Butyl thioacetate - CAS 999-90-6
Catalog: |
BB042380 |
Product Name: |
S-tert-Butyl thioacetate |
CAS: |
999-90-6 |
Synonyms: |
S-tert-butyl ethanethioate |
IUPAC Name: | S-tert-butyl ethanethioate |
Description: | S-tert-Butyl thioacetate (CAS# 999-90-6) is a useful research chemical. |
Molecular Weight: | 132.22 |
Molecular Formula: | C6H12OS |
Canonical SMILES: | CC(=O)SC(C)(C)C |
InChI: | InChI=1S/C6H12OS/c1-5(7)8-6(2,3)4/h1-4H3 |
InChI Key: | PJFHXBBYLAVSLJ-UHFFFAOYSA-N |
Boiling Point: | 151.4 °C at 760 mmHg |
Density: | 0.953 g/cm3 |
MDL: | MFCD00042941 |
LogP: | 2.06460 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3543231-A1 | Compounds for treating cns- and neurodegenerative diseases | 20180319 |
WO-2019179890-A1 | Compounds for treating cns- and neurodegenerative diseases | 20180319 |
AU-2019238950-A1 | Compounds for treating CNS- and neurodegenerative diseases | 20180319 |
EP-3768673-A1 | Compounds for treating cns- and neurodegenerative diseases | 20180319 |
US-2021015793-A1 | Compounds for treating cns- and neurodegenerative diseases | 20180319 |
Complexity: | 91.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.06088618 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.06088618 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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