Methylnereistoxin
Basic information
- CAS
19216-75-2- Standard SMILES
C[N+](C)(C)C1CSSC1.[I-]- InChIKey
YJOGFWDEANTMOG-UHFFFAOYSA-M- Molecular formula
- C6H14INS2
- Average molar mass
- 291.2 g/mol
- Monoisotopic mass
- 290.96124
Overview
RN given refers to iodide
Names & identifiers
- Preferred name
- Methylnereistoxin
- IUPAC
- dithiolan-4-yl(trimethyl)azanium iodide
- English name
- methylnereistoxin
- Molecular formula
- C6H14NS2.I
- Molecular weight
- 291.22
Names & synonyms
Methylnereistoxin19216-75-24-trimethylammonio-1,2-dithiolaneRefChem:1582691,2-Dithiolan-4-yltrimethylammonium iodideN,N-Dimethyl-1,2-dithiolan-4-amine methiodideNereistoxin methiodideAMMONIUM, 1,2-DITHIOLAN-4-YLTRIMETHYL-, IODIDEDTXSID00940871N,N,N-Trimethyl-1,2-dithiolan-4-aminium iodidedithiolan-4-yl(trimethyl)azanium1,2-Dithiolan-4-aminium, N,N,N-trimethyl-, iodide (1:1)
Database identifiers
- CAS
19216-75-2- PubChem CID
- 29505
- DTXSID
DTXSID00940871
Properties
Computed structural properties
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 91.7
Physicochemical properties
- Melting point
- 232 °C · 232 °C (decomp)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…