Basic information
- CAS
338417-15-5- Standard SMILES
Cc1ccc(NC=C2Sc3cc(Cl)ccc3NC2=O)cc1- InChIKey
LDEFAVDNGBVCDV-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2OS
- Average molar mass
- 316.8 g/mol
Names & identifiers
- Preferred name
- 7-chloro-2-(4-toluidinomethylene)-2H-1,4-benzothiazin-3(4H)-one
- IUPAC
- 7-chloro-2-[(4-methylanilino)methylidene]-4H-1,4-benzothiazin-3-one
- English name
- 7-Chloro-2-(4-toluidinomethylene)-2H-1,4-benzothiazin-3(4H)-one
- Molecular formula
- C16H13ClN2OS
- Molecular weight
- 316.81
Names & synonyms
7-chloro-2-(4-toluidinomethylene)-2H-1,4-benzothiazin-3(4H)-one2H-1,4-Benzothiazin-3(4H)-one, 7-chloro-2-[[(4-methylphenyl)amino]methylene]-(2E)-7-chloro-2-{[(4-methylphenyl)amino]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one
Database identifiers
- CAS
338417-15-5
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Boiling point
- 498.4 · 498.4±45.0 °C(Predicted)
- Density
- 1.433 · 1.433±0.06 g/cm3(Predicted)
- pka
- 9.34 · 9.34±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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