2-Hexyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
Basic information
- CAS
90012-36-5- Standard SMILES
CCCCCCN1C(=O)c2ccccc2S1(=O)=O- InChIKey
FMVUXFJPDXGGOX-UHFFFAOYSA-N- Molecular formula
- C13H17NO3S
- Average molar mass
- 267.35 g/mol
- Monoisotopic mass
- 267.09291458
Names & identifiers
- Preferred name
- 2-Hexyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
- IUPAC
- 2-hexyl-1,1-dioxo-1,2-benzothiazol-3-one
Names & synonyms
90012-36-5NSC45119SCHEMBL14560535DTXSID802863802-Hexyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trioneNSC-45119
Database identifiers
- CAS
90012-36-5- PubChem CID
- 239733
- DTXSID
DTXSID80286380
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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