tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate
Basic information
- CAS
701291-02-3- Standard SMILES
COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)OC(C)(C)C- InChIKey
CPXJXJRDMZYBHU-UHFFFAOYSA-N- Molecular formula
- C13H18N4O5S
- Average molar mass
- 342.37 g/mol
- Monoisotopic mass
- 342.09979086
Names & identifiers
- Preferred name
- tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate
- IUPAC
- tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate
Names & synonyms
701291-02-31,1-Dimethylethyl 2-[[(2-methoxy-4-nitrophenyl)amino]thioxomethyl]hydrazinecarboxylateDTXSID801126831STK455474tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamateAKOS003312257tert-butyl 2-[(2-methoxy-4-nitrophenyl)carbamothioyl]hydrazinecarboxylateST50840060SR-01000275640SR-01000275640-1(tert-butoxy)-N-({[(2-methoxy-4-nitrophenyl)amino]thioxomethyl}amino)carboxami detert-Butyl 2-[(2-methoxy-4-nitrophenyl)carbamothioyl]hydrazine-1-carboxylate
Show more names
tert-butyl 2-{[(2-methoxy-4-nitrophenyl)amino]carbonothioyl}hydrazinecarboxylate
Database identifiers
- CAS
701291-02-3- PubChem CID
- 3673814
- DTXSID
DTXSID801126831
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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