Basic information
- CAS
68055-29-8- Standard SMILES
COc1ccc(C(=S)NC2CCCCC2)cc1- InChIKey
DWSWSMYKBIKIDC-UHFFFAOYSA-N- Molecular formula
- C14H19NOS
- Average molar mass
- 249.37 g/mol
- Monoisotopic mass
- 249.1187354
Names & identifiers
- Preferred name
- N-cyclohexyl-4-methoxybenzenecarbothioamide
- IUPAC
- N-cyclohexyl-4-methoxybenzenecarbothioamide
Names & synonyms
N-cyclohexyl-4-methoxybenzenecarbothioamide68055-29-8DTXSID70359557RefChem:363728DTXCID00310611Benzenecarbothioamide, N-cyclohexyl-4-methoxy-MLS000581217CHEMBL1480571HMS2158D22HMS3314K12STL560583AKOS000348611
Show more names
SMR000199831N-Cyclohexyl-4-methoxybenzene-1-carbothioamide
Database identifiers
- CAS
68055-29-8- PubChem CID
- 970159
- DTXSID
DTXSID70359557- ChEMBL
CHEMBL1480571
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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