Basic information
- CAS
13512-05-5- Standard SMILES
Cc1cc(C(C)(C)C)c(SC(=O)N(C)C)c(C(C)(C)C)c1- InChIKey
WTJRUEUBEVLAJG-UHFFFAOYSA-N- Molecular formula
- C18H29NOS
- Average molar mass
- 307.5 g/mol
- Monoisotopic mass
- 307.19698572
Names & identifiers
- Preferred name
- S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate
- IUPAC
- S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioate
Names & synonyms
13512-05-5NSC171498S-(2,6-ditert-butyl-4-methylphenyl) N,N-dimethylcarbamothioateDTXSID80305707NSC-171498S-(2,6-Di-tert-butyl-4-methylphenyl) dimethylcarbamothioate
Database identifiers
- CAS
13512-05-5- PubChem CID
- 299055
- DTXSID
DTXSID80305707
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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