2,3-Dihydro-3-thiophenine 1,1-Dioxide Hydrobromide - CAS 55212-71-0
Catalog: |
BB062959 |
Product Name: |
2,3-Dihydro-3-thiophenine 1,1-Dioxide Hydrobromide |
CAS: |
55212-71-0 |
Synonyms: |
2,3-Dihydro-3-thiophenamine 1,1-Dioxide Hydrobromide |
IUPAC Name: | 1,1-dioxo-2,3-dihydrothiophen-3-aminehydrobromide |
Description: | One of the amino derivatives of 1,1-dioxothiolanes and 1,1-dioxothiolenes as plant growth regulators. |
Molecular Weight: | 214.08 |
Molecular Formula: | C4H8BrNO2S |
Canonical SMILES: | C1C(C=CS1(=O)=O)N.Br |
InChI: | InChI=1S/C4H7NO2S.BrH/c5-4-1-2-8(6,7)3-4/h1-2,4H,3,5H21H |
InChI Key: | VZGVZHZASACFEO-UHFFFAOYSA-N |
References: | Ohba, K., et al. Agr. Biol. Chem., 38, 1679 (1974),. |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.94591 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.94591 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 68.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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