Basic information
- CAS
13511-86-9- Standard SMILES
CN(C)C(=O)Sc1cccc([N+](=O)[O-])c1- InChIKey
XOEQSLOXCQIAOM-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3S
- Average molar mass
- 226.25 g/mol
- Monoisotopic mass
- 226.04121336
Names & identifiers
- Preferred name
- S-(3-Nitrophenyl) dimethylcarbamothioate
- IUPAC
- S-(3-nitrophenyl) N,N-dimethylcarbamothioate
Names & synonyms
13511-86-9NSC171517SCHEMBL6679164DTXSID60305725NSC-171517S-(3-Nitrophenyl) dimethylcarbamothioate
Database identifiers
- CAS
13511-86-9- PubChem CID
- 299073
- DTXSID
DTXSID60305725
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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