3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile
Basic information
- CAS
64906-29-2- Standard SMILES
CSC(C)(C(=N)C#N)N(C)C- InChIKey
KSJTWLXTOTZHAE-UHFFFAOYSA-N- Molecular formula
- C7H13N3S
- Average molar mass
- 171.27 g/mol
- Monoisotopic mass
- 171.0830186
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrile
- IUPAC
- 2-(dimethylamino)-2-methylsulfanylpropanimidoyl cyanide
Names & synonyms
64906-29-2NSC2885413-(Dimethylamino)-2-imino-3-(methylsulfanyl)butanenitrileDTXSID00314790NSC-288541
Database identifiers
- CAS
64906-29-2- PubChem CID
- 324189
- DTXSID
DTXSID00314790
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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