Basic information
- CAS
96963-11-0- Standard SMILES
CC(C)(C)C1CCCc2scnc21- InChIKey
NTCPMMVQHYCJKA-UHFFFAOYSA-N- Molecular formula
- C11H17NS
- Average molar mass
- 195.33 g/mol
- Monoisotopic mass
- 195.10817072
Names & identifiers
- Preferred name
- Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-
- IUPAC
- 4-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole
Names & synonyms
Benzothiazole, 4-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-4-t-Butylcyclohexathiazole96963-11-04-tert-Butyl-4,5,6,7-tetrahydro-1,3-benzothiazoleDTXSID10343076NTCPMMVQHYCJKA-UHFFFAOYSA-NNS001139434-tert-Butyl-4,5,6,7-tetrahydro-1,3-benzothiazole #
Database identifiers
- CAS
96963-11-0- PubChem CID
- 587241
- DTXSID
DTXSID10343076
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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