4-Amino-2,2-dioxoisothiochromane Hydrochloride - CAS 916420-33-2
Catalog: |
BB040294 |
Product Name: |
4-Amino-2,2-dioxoisothiochromane Hydrochloride |
CAS: |
916420-33-2 |
Synonyms: |
2,2-dioxo-3,4-dihydro-1H-2-benzothiopyran-4-amine; 2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-amine |
IUPAC Name: | 2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-amine |
Description: | 4-Amino-2,2-dioxoisothiochromane Hydrochloride (CAS# 916420-33-2 ) is a useful research chemical. |
Molecular Weight: | 233.72 |
Molecular Formula: | C9H12ClNO2S |
Canonical SMILES: | C1C(C2=CC=CC=C2CS1(=O)=O)N |
InChI: | InChI=1S/C9H11NO2S/c10-9-6-13(11,12)5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2 |
InChI Key: | NQQQZIIUCBAOSL-UHFFFAOYSA-N |
LogP: | 2.39590 |
Publication Number | Title | Priority Date |
US-2005267199-A1 | 2-Amino- and 2-thio- substituted 1,3-diaminopropanes | 20040325 |
US-7544717-B2 | 2-amino- and 2-thio- substituted 1,3-diaminopropanes | 20040325 |
US-2005239832-A1 | Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors | 20040309 |
WO-2005087714-A2 | Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors | 20040309 |
US-2006128786-A1 | Compounds for the treatment of alzheimer's disease | 20020927 |
Complexity: | 281 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.05104977 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.05104977 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 68.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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