4-Phenyl-1,2-thiazinan-3-one 1,1-dioxide - CAS 133778-09-3
Catalog: |
BB054745 |
Product Name: |
4-Phenyl-1,2-thiazinan-3-one 1,1-dioxide |
CAS: |
133778-09-3 |
Synonyms: |
4-phenyl-1,2-thiazinan-3-one1,1-dioxide |
IUPAC Name: | 1,1-dioxo-4-phenylthiazinan-3-one |
Molecular Weight: | 225.27 |
Molecular Formula: | C10H11NO3S |
Canonical SMILES: | C1CS(=O)(=O)NC(=O)C1C2=CC=CC=C2 |
InChI: | InChI=1S/C10H11NO3S/c12-10-9(6-7-15(13,14)11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12) |
InChI Key: | CPHSOOLWOACHGS-UHFFFAOYSA-N |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.04596439 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.04596439 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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