S-(2,6-Diformyl-4-methylphenyl) dimethylcarbamothioate
Basic information
- CAS
73729-07-4- Standard SMILES
Cc1cc(C=O)c(SC(=O)N(C)C)c(C=O)c1- InChIKey
OBNHZYXCWUYVRH-UHFFFAOYSA-N- Molecular formula
- C12H13NO3S
- Average molar mass
- 251.3 g/mol
- Monoisotopic mass
- 251.06161445
Names & identifiers
- Preferred name
- S-(2,6-Diformyl-4-methylphenyl) dimethylcarbamothioate
- IUPAC
- S-(2,6-diformyl-4-methylphenyl) N,N-dimethylcarbamothioate
Names & synonyms
73729-07-4S-(2,6-Diformyl-4-methylphenyl) dimethylcarbamothioateDTXSID90578445
Database identifiers
- CAS
73729-07-4- PubChem CID
- 15802464
- DTXSID
DTXSID90578445- Nikkaji
- J1.022.118H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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