O-(4-tert-Butylphenyl) phenylcarbamothioate
Basic information
- CAS
13522-34-4- Standard SMILES
CC(C)(C)c1ccc(OC(=S)Nc2ccccc2)cc1- InChIKey
ITICEEOOQXSXOI-UHFFFAOYSA-N- Molecular formula
- C17H19NOS
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.1187354
Names & identifiers
- Preferred name
- O-(4-tert-Butylphenyl) phenylcarbamothioate
- IUPAC
- O-(4-tert-butylphenyl) N-phenylcarbamothioate
Names & synonyms
13522-34-4NSC171710O-(4-tert-Butylphenyl) phenylcarbamothioateDTXSID10391178NSC-171710
Database identifiers
- CAS
13522-34-4- PubChem CID
- 3296291
- DTXSID
DTXSID10391178
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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