4-Phenyl-1,2-thiazinane 1,1-dioxide - CAS 133778-13-9
Catalog: |
BB054746 |
Product Name: |
4-Phenyl-1,2-thiazinane 1,1-dioxide |
CAS: |
133778-13-9 |
Synonyms: |
4-phenyltetrahydro-2H-1,2-thiazine 1,1-dioxide; 2H-1,2-Thiazine, tetrahydro-4-phenyl-, 1,1-dioxide |
IUPAC Name: | 4-phenylthiazinane 1,1-dioxide |
Molecular Weight: | 211.28 |
Molecular Formula: | C10H13NO2S |
Canonical SMILES: | C1CS(=O)(=O)NCC1C2=CC=CC=C2 |
InChI: | InChI=1S/C10H13NO2S/c12-14(13)7-6-10(8-11-14)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2 |
InChI Key: | OGBBONRSZJOJCB-UHFFFAOYSA-N |
Boiling Point: | 360.8±45.0 °C at 760 mmHg |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.06669983 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.06669983 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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