Imino-(4-methylsulfanylbutylimino)azanium
Basic information
- CAS
57775-01-6- Standard SMILES
CSCCCCN=[N+]=N- InChIKey
GXRDUWQMHJIPGP-UHFFFAOYSA-N- Molecular formula
- C5H12N3S+
- Average molar mass
- 146.24 g/mol
- Monoisotopic mass
- 146.07519357
Names & identifiers
- Preferred name
- Imino-(4-methylsulfanylbutylimino)azanium
- IUPAC
- imino(4-methylsulfanylbutylimino)azanium
- English name
- 4-(Methylthio)butyl azide
- Molecular formula
- C5H11N3S
- Molecular weight
- 145.22594
Names & synonyms
IMINO-(4-METHYLSULFANYLBUTYLIMINO)AZANIUMDTXSID20422806AKOS0302402711-[4-(Methylsulfanyl)butyl]triaza-1,2-dien-2-ium4-(Methylthio)butyl azide1-azido-4-(methylsulfanyl)butane
Database identifiers
- CAS
57775-01-6- PubChem CID
- 6334166
- DTXSID
DTXSID20422806
Properties
Computed structural properties
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 1
- Complexity
- 98.4
Physicochemical properties
- Boiling point
- 86 · 86-87 °C(Press: 15 Torr)
- storage temp.
- Refrigerator
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate
- form
- Oil
- color
- Light Yellow
Chemistry & industry
Applications
Uses4-(Methylthio)butyl azide is used in the preparation of sulforaphane and related isothiocyanates.
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Related reactions
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Compound notes
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