Basic information
- CAS
13639-45-7- Standard SMILES
CC(C)(C)C1CN1C(=S)Nc1ccccc1- InChIKey
DQCYXBMCYOUSSH-UHFFFAOYSA-N- Molecular formula
- C13H18N2S
- Average molar mass
- 234.36 g/mol
- Monoisotopic mass
- 234.11906976
Names & identifiers
- Preferred name
- 2-tert-butyl-N-phenylaziridine-1-carbothioamide
- IUPAC
- 2-tert-butyl-N-phenylaziridine-1-carbothioamide
Names & synonyms
13639-45-72-tert-butyl-N-phenylaziridine-1-carbothioamideNSC141646DTXSID90397956NSC-141646
Database identifiers
- CAS
13639-45-7- PubChem CID
- 3918962
- DTXSID
DTXSID90397956
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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