4-Aminotetrahydrothiopyran 1,1-Dioxide Hydrochloride - CAS 116529-31-8
Catalog: |
BB003759 |
Product Name: |
4-Aminotetrahydrothiopyran 1,1-Dioxide Hydrochloride |
CAS: |
116529-31-8 |
Synonyms: |
1,1-dioxo-4-thianamine;hydrochloride; 1,1-dioxothian-4-amine;hydrochloride |
IUPAC Name: | 1,1-dioxothian-4-amine;hydrochloride |
Description: | 4-Aminotetrahydrothiopyran 1,1-Dioxide Hydrochloride (CAS# 116529-31-8) is a useful research chemical. |
Molecular Weight: | 185.67 |
Molecular Formula: | C5H12ClNO2S |
Canonical SMILES: | C1CS(=O)(=O)CCC1N.Cl |
InChI: | InChI=1S/C5H11NO2S.ClH/c6-5-1-3-9(7,8)4-2-5;/h5H,1-4,6H2;1H |
InChI Key: | XUECUYGAJXDZKG-UHFFFAOYSA-N |
Boiling Point: | 339.7 °C at 760 mmHg |
Appearance: | Solid |
MDL: | MFCD11114559 |
LogP: | 2.10540 |
GHS Hazard Statement: | H302 (66.67%): 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-2021158481-A1 | Substituted 1,1'-biphenyl compounds and methods using same | 20200203 |
EP-3800188-A1 | Substituted pyrazolopyrimidines as irak4 inhibitors | 20191002 |
WO-2021064077-A1 | Substituted pyrazolopyrimidines as irak4 inhibitors | 20191002 |
CN-112236431-A | Purinone compounds and their use in the treatment of cancer | 20180615 |
US-2021171525-A1 | Purinone compounds and their use in treating cancer | 20180615 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.0277275 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.0277275 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 68.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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