4-Hydroxytetrahydrothiopyran 1,1-Dioxide - CAS 194152-05-1
Catalog: |
BB015038 |
Product Name: |
4-Hydroxytetrahydrothiopyran 1,1-Dioxide |
CAS: |
194152-05-1 |
Synonyms: |
1,1-dioxo-4-thianol; 1,1-dioxothian-4-ol |
IUPAC Name: | 1,1-dioxothian-4-ol |
Description: | 4-Hydroxytetrahydrothiopyran 1,1-Dioxide (CAS# 194152-05-1) is a useful research chemical. |
Molecular Weight: | 150.20 |
Molecular Formula: | C5H10O3S |
Canonical SMILES: | C1CS(=O)(=O)CCC1O |
InChI: | InChI=1S/C5H10O3S/c6-5-1-3-9(7,8)4-2-5/h5-6H,1-4H2 |
InChI Key: | JABSMKPYEZTJTE-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD12152579 |
LogP: | 0.63670 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021156787-A1 | Heterocyclic compounds as dihydroorotate dehydrogenase inhibitors | 20200204 |
WO-2020260857-A1 | Hydroxamate compounds as antagonists of the adenosine a2a receptor | 20190613 |
CN-111333648-A | 8-substituted aromatic ring vinyl xanthine derivative and application thereof | 20190424 |
WO-2020216152-A1 | 8-substituted aryl vinyl xanthine derivatives and uses thereof | 20190424 |
CN-111333648-B | 8-substituted aromatic ring vinyl xanthine derivative and application thereof | 20190424 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.03506535 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.03506535 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 62.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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