S-Methyl [4-(4-methoxyphenoxy)phenyl]carbamothioate
Basic information
- CAS
80199-15-1- Standard SMILES
COc1ccc(Oc2ccc(NC(=O)SC)cc2)cc1- InChIKey
HCECSNPOTICMOB-UHFFFAOYSA-N- Molecular formula
- C15H15NO3S
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.07726451
Names & identifiers
- Preferred name
- S-Methyl [4-(4-methoxyphenoxy)phenyl]carbamothioate
- IUPAC
- S-methyl N-[4-(4-methoxyphenoxy)phenyl]carbamothioate
Names & synonyms
80199-15-1S-Methyl [4-(4-methoxyphenoxy)phenyl]carbamothioateDTXSID20510318
Database identifiers
- CAS
80199-15-1- PubChem CID
- 12806972
- DTXSID
DTXSID20510318
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 297
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Compound notes
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