Basic information
- CAS
5308-12-3- Standard SMILES
CCOC(=S)Nc1ccc(C)cc1- InChIKey
NMCDNAPZBCSEEG-UHFFFAOYSA-N- Molecular formula
- C10H13NOS
- Average molar mass
- 195.28 g/mol
- Monoisotopic mass
- 195.07178521
Names & identifiers
- Preferred name
- o-Ethyl 4-methylphenylthiocarbamate
- IUPAC
- O-ethyl N-(4-methylphenyl)carbamothioate
Names & synonyms
o-Ethyl 4-methylphenylthiocarbamate5308-12-3O-ethyl p-tolylcarbamothioateO-ethyl N-(4-methylphenyl)carbamothioateo-Ethyl (p-tolyl)thiocarbamateO-Ethyl p-tolylthiocarbamateSCHEMBL8404880DTXSID30418710o-Ethyl 4-methylphenylthiocarbamate #O-Ethyl (4-methylphenyl)carbamothioate(E)-O-Ethyl N-(4-methylphenyl)thiocarbamateAE-562/43458328
Database identifiers
- CAS
5308-12-3- PubChem CID
- 5373045
- DTXSID
DTXSID30418710- Nikkaji
- J482.441E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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