Basic information
- Standard SMILES
CC1(C)CCC(C)(C)c2cc(-c3csc(CC#N)n3)ccc21- InChIKey
BAJBXBAQQMKCAY-UHFFFAOYSA-N- Molecular formula
- C19H22N2S
- Average molar mass
- 310.5 g/mol
- Monoisotopic mass
- 310.15036988
Names & identifiers
- Preferred name
- [4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)thiazol-2-yl]acetonitrile
- IUPAC
- 2-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetonitrile
Names & synonyms
Maybridge4_004451Oprea1_613379365223-65-0SCHEMBL2224221BAJBXBAQQMKCAY-UHFFFAOYSA-NHMS1533K07CCG-254421DA-06404[4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)thiazol-2-yl]acetonitrile
Database identifiers
- PubChem CID
- 2742595
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 461
Related reactions
2 records
Compound notes
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