2-[(Dimethylcarbamothioyl)oxy]phenyl acetate
Basic information
- CAS
13522-31-1- Standard SMILES
CC(=O)Oc1ccccc1OC(=S)N(C)C- InChIKey
LQHXRABUYXATAZ-UHFFFAOYSA-N- Molecular formula
- C11H13NO3S
- Average molar mass
- 239.29 g/mol
- Monoisotopic mass
- 239.06161445
Names & identifiers
- Preferred name
- 2-[(Dimethylcarbamothioyl)oxy]phenyl acetate
- IUPAC
- [2-(dimethylcarbamothioyloxy)phenyl] acetate
Names & synonyms
13522-31-1NSC1715152-[(Dimethylcarbamothioyl)oxy]phenyl acetateDTXSID40305723NSC-171515
Database identifiers
- CAS
13522-31-1- PubChem CID
- 299071
- DTXSID
DTXSID40305723
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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