Basic information
- CAS
5339-45-7- Standard SMILES
CCCCCCCCCCCCCCCCSC(=NC)NC.I- InChIKey
IOLFLTFZPJRMLY-UHFFFAOYSA-N- Molecular formula
- C19H41IN2S
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.20352
Names & identifiers
- Preferred name
- Pseudourea, 2-hexadecyl-1,3-dimethyl-2-thio-, hydriodide
- IUPAC
- hexadecyl N,N'-dimethylcarbamimidothioate;hydroiodide
Names & synonyms
5339-45-7Pseudourea, 2-hexadecyl-1,3-dimethyl-2-thio-, hydriodideDTXSID80201553RefChem:1097134DTXCID10124044NSC 35222-Hexadecyl-1,3-dimethyl-2-thiopseudourea hydriodidePseudourea, 2-hexadecyl-1,3-dimethyl-2-thio-, monohydriodideWLN: 16SYM1&UN &HINSC3522NSC-3522Pseudourea,3-dimethyl-2-thio-, monohydriodide
Show more names
Hexadecyl N,N'-dimethylcarbamimidothioate--hydrogen iodide (1/1)Carbamimidothioic acid, N,N'-dimethyl-, hexadecyl ester, hydroiodide (1:1)
Database identifiers
- CAS
5339-45-7- PubChem CID
- 79274
- DTXSID
DTXSID80201553
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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