2-(Dimethylamino)ethyl thiocyanate
Basic information
- CAS
103114-48-3- Standard SMILES
CN(C)CCSC#N- InChIKey
MVVDUNWEFZQRIW-UHFFFAOYSA-N- Molecular formula
- C5H10N2S
- Average molar mass
- 130.21 g/mol
- Monoisotopic mass
- 130.0564695
Names & identifiers
- Preferred name
- 2-(Dimethylamino)ethyl thiocyanate
- IUPAC
- 2-(dimethylamino)ethyl thiocyanate
Names & synonyms
2-(dimethylamino)ethyl thiocyanate103114-48-3CHEMBL176424DTXSID70392242
Database identifiers
- CAS
103114-48-3- PubChem CID
- 3413360
- DTXSID
DTXSID70392242- ChEMBL
CHEMBL176424- EC Number
- 600-393-4
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 91.8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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