S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate
Basic information
- CAS
13511-95-0- Standard SMILES
Cc1cc(C)c(C)c(SC(=O)N(C)C)c1C- InChIKey
SHSYEAQNAFHXIM-UHFFFAOYSA-N- Molecular formula
- C13H19NOS
- Average molar mass
- 237.36 g/mol
- Monoisotopic mass
- 237.1187354
Names & identifiers
- Preferred name
- S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioate
- IUPAC
- S-(2,3,5,6-tetramethylphenyl) N,N-dimethylcarbamothioate
Names & synonyms
13511-95-0NSC171652S-(2,3,5,6-tetramethylphenyl) dimethylcarbamothioateSCHEMBL11660278DTXSID70305776NSC-171652
Database identifiers
- CAS
13511-95-0- PubChem CID
- 299185
- DTXSID
DTXSID70305776
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
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Compound notes
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