2-Cyclohexyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
Basic information
- CAS
33695-22-6- Standard SMILES
O=C(O)C1CCCc2sc(C3CCCCC3)nc21- InChIKey
QAZCUNJOZMPEDB-UHFFFAOYSA-N- Molecular formula
- C14H19NO2S
- Average molar mass
- 265.37 g/mol
- Monoisotopic mass
- 265.11365002
Names & identifiers
- Preferred name
- 2-Cyclohexyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
- IUPAC
- 2-cyclohexyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
Names & synonyms
2-cyclohexyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acidDTXSID9095531333695-22-6RefChem:1062932DTXCID501383313BRN 09904624,5,6,7-Tetrahydro-2-cyclohexyl-4-benzothiazolecarboxylic acid4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-cyclohexyl-Cyclohexyl-2 carboxy-4 tetrahydro-4,5,6,7 benzothiazole [French]Cyclohexyl-2 carboxy-4 tetrahydro-4,5,6,7 benzothiazole
Database identifiers
- CAS
33695-22-6- PubChem CID
- 214686
- DTXSID
DTXSID90955313
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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