2H-1,2-Benzothiazin-3(4H)-one, 2-butyl-, 1,1-dioxide
Basic information
- CAS
31848-17-6- Standard SMILES
CCCCN1C(=O)Cc2ccccc2S1(=O)=O- InChIKey
LBYMBFCTABAPDE-UHFFFAOYSA-N- Molecular formula
- C12H15NO3S
- Average molar mass
- 253.32 g/mol
- Monoisotopic mass
- 253.07726451
Names & identifiers
- Preferred name
- 2H-1,2-Benzothiazin-3(4H)-one, 2-butyl-, 1,1-dioxide
- IUPAC
- 2-butyl-1,1-dioxo-4H-1λ6,2-benzothiazin-3-one
Names & synonyms
BRN 06612032-Butyl-2H-1,2-benzothiazin-3(4H)-one 1,1-dioxide2H-1,2-Benzothiazin-3(4H)-one, 2-butyl-, 1,1-dioxide31848-17-6DTXSID90185714RefChem:267666DTXCID301082052-Butyl-1lambda~6~,2-benzothiazine-1,1,3(2H,4H)-trione
Database identifiers
- CAS
31848-17-6- PubChem CID
- 208258
- DTXSID
DTXSID90185714
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 385
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Compound notes
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