Bis(dimethylamino)dithiazolium
Basic information
- CAS
1007-22-3- Standard SMILES
CN(C)c1nc(=[N+](C)C)ss1.[Cl-]- InChIKey
RVPKCCDBCDGECU-UHFFFAOYSA-M- Molecular formula
- C6H12ClN3S2
- Average molar mass
- 225.8 g/mol
- Monoisotopic mass
- 225.0161174
Overview
RN given refers to chloride
Names & identifiers
- Preferred name
- Bis(dimethylamino)dithiazolium
- IUPAC
- [5-(dimethylamino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium chloride
- English name
- bis(dimethylamino)dithiazolium
- Molecular formula
- C6H12N3S2.Cl
- Molecular weight
- 225.76
Names & synonyms
Bis(dimethylamino)dithiazolium1007-22-3RefChem:120214[5-(dimethylamino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;chlorideORF 5513AI3-511603,5-Bis-dimethylamino-1,2,4-dithiazolium chlorideDTXSID309056751,2,4-DITHIAZOL-1-IUM, 3,5-BIS(DIMETHYLAMINO)-, CHLORIDE5-(Dimethylamino)-N,N-dimethyl-3H-1,2,4-dithiazol-3-iminium chlorideORF-5513ENT-51160
Show more names
[5-(Dimethylamino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium
Database identifiers
- CAS
1007-22-3- PubChem CID
- 13875
- DTXSID
DTXSID30905675
Properties
Computed structural properties
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Melting point
- 267 · 267-270 °C
- Toxicity
- 50 ivn-mus: · LD50 ivn-mus: 56 mg/kg CSLNX* NX#07197
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 ivn-mus: 56 mg/kg CSLNX* NX#07197
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Related reactions
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Compound notes
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