6-Thiocyanocarvacrol
Basic information
- CAS
34523-01-8- Standard SMILES
Cc1c(O)cc(C(C)C)cc1SC#N- InChIKey
FBRMJXLWRZWXLK-UHFFFAOYSA-N- Molecular formula
- C11H13NOS
- Average molar mass
- 207.29 g/mol
- Monoisotopic mass
- 207.07178521
Names & identifiers
- Preferred name
- 6-Thiocyanocarvacrol
- IUPAC
- (3-hydroxy-2-methyl-5-propan-2-ylphenyl) thiocyanate
Names & synonyms
6-Thiocyanocarvacrol34523-01-8DTXSID109560493-Hydroxy-2-methyl-5-(propan-2-yl)phenyl thiocyanate
Database identifiers
- CAS
34523-01-8- PubChem CID
- 186192
- DTXSID
DTXSID10956049
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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