1-(Phenoxymethyl)cyclobutane-1-carbothioamide
Basic information
- CAS
1387558-64-6- Standard SMILES
NC(=S)C1(COc2ccccc2)CCC1- InChIKey
NRBXEACPLZEXLX-UHFFFAOYSA-N- Molecular formula
- C12H15NOS
- Average molar mass
- 221.32 g/mol
- Monoisotopic mass
- 221.08743528
Names & identifiers
- Preferred name
- 1-(Phenoxymethyl)cyclobutane-1-carbothioamide
- IUPAC
- 1-(phenoxymethyl)cyclobutane-1-carbothioamide
Names & synonyms
DTXSID6012525591-(Phenoxymethyl)cyclobutane-1-carbothioamideCyclobutanecarbothioamide, 1-(phenoxymethyl)-1-Phenoxymethyl-cyclobutanecarbothioic acid amide1387558-64-6
Database identifiers
- CAS
1387558-64-6- PubChem CID
- 97033943
- DTXSID
DTXSID601252559
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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