Basic information
- Standard SMILES
CC1(C)CCCC2=C1C(=O)N(CCl)S2(=O)=O- InChIKey
YQKAWSFUPMHYDT-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO3S
- Average molar mass
- 263.74 g/mol
- Monoisotopic mass
- 263.0382922
Names & identifiers
- Preferred name
- 2-(chloromethyl)-4,4-dimethyl-1,1-dioxo-6,7-dihydro-5H-1,2-benzothiazol-3-one
- IUPAC
- 2-(chloromethyl)-4,4-dimethyl-1,1-dioxo-6,7-dihydro-5H-1,2-benzothiazol-3-one
Names & synonyms
SCHEMBL7377418
Database identifiers
- PubChem CID
- 19092844
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 473
Related reactions
1 records
Compound notes
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