3-Thietanone - CAS 22131-92-6
Catalog: |
BB017412 |
Product Name: |
3-Thietanone |
CAS: |
22131-92-6 |
Synonyms: |
3-thietanone; thietan-3-one |
IUPAC Name: | thietan-3-one |
Description: | 3-Thietanone (CAS# 22131-92-6) is a useful research chemical. |
Molecular Weight: | 88.13 |
Molecular Formula: | C3H4OS |
Canonical SMILES: | C1C(=O)CS1 |
InChI: | InChI=1S/C3H4OS/c4-3-1-5-2-3/h1-2H2 |
InChI Key: | DQOHDRDDPZNSQI-UHFFFAOYSA-N |
Boiling Point: | 126.7 °C at 760 mmHg |
Density: | 1.316 g/cm3 |
Appearance: | Solid |
MDL: | MFCD11848696 |
LogP: | 0.30230 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021080929-A1 | N-(heteroaryl) quinazolin-2-amine derivatives as lrrk2 inhibitors, pharmaceutical compositions, and uses thereof | 20191025 |
US-2021070743-A1 | Rip1 inhibitory compounds and methods for making and using the same | 20190906 |
WO-2021046407-A1 | Rip1 inhibitory compounds and methods for making and using the same | 20190906 |
WO-2020204733-A1 | A solvent drying composition and processes therfor | 20190403 |
WO-2020185096-A1 | An alcohol recovery solution, and method of use therefor | 20190308 |
Complexity: | 53.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 87.99828592 |
Formal Charge: | 0 |
Heavy Atom Count: | 5 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 87.99828592 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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