Basic information
- CAS
63977-50-4- Standard SMILES
CN(C)C(=S)Sc1ccc([N+](C)(C)C)cc1.[I-]- InChIKey
MZCGCKLYOJSXBS-UHFFFAOYSA-M- Molecular formula
- C12H19IN2S2
- Average molar mass
- 382.3 g/mol
- Monoisotopic mass
- 382.00344
Names & identifiers
- Preferred name
- Ammonium, (p-mercaptophenyl)trimethyl-, iodide, dimethyldithiocarbamate
- IUPAC
- [4-(dimethylcarbamothioylsulfanyl)phenyl]-trimethylazanium iodide
Names & synonyms
TL-1179Carbamic acid, dimethyldithio-, p-(trimethylammonio)phenyl ester, iodide63977-50-4AMMONIUM, (p-MERCAPTOPHENYL)TRIMETHYL-, IODIDE, DIMETHYLDITHIOCARBAMATECarbamthiolthionic acid, N,N-dimethyl-, 4-dimethylaminophenyl ester, methiodideRefChem:319083DTXSID909814154-[(dimethylcarbamothioyl)sulfanyl]-N,N,N-trimethylanilinium iodide
Database identifiers
- CAS
63977-50-4- PubChem CID
- 45792
- DTXSID
DTXSID90981415
Properties
Computed structural properties
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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