Basic information
- CAS
5339-46-8- Standard SMILES
CCCCCCCCCCCCCCCCSC(=NCC)NCC.I- InChIKey
JOANHRCWWUJBAQ-UHFFFAOYSA-N- Molecular formula
- C21H45IN2S
- Average molar mass
- 484.6 g/mol
- Monoisotopic mass
- 484.23482
Names & identifiers
- Preferred name
- Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1)
- IUPAC
- hexadecyl N,N'-diethylcarbamimidothioate;hydroiodide
Names & synonyms
5339-46-8DTXSID50968045Hexadecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1)RefChem:1086528DTXCID101395637NSC 3523Pseudourea, 1,3-diethyl-2-hexadecyl-2-thio-, hydriodide1,3-Diethyl-2-hexadecyl-2-thiopseudourea hydriodideNSC3523Pseudourea, 1,3-diethyl-2-hexadecyl-2-thio-, monohydriodideWLN: 16SYM2&UN2 &IHNSC-3523
Show more names
Carbamimidothioic acid, N,N'-diethyl-, hexadecyl ester, monohydriodidePseudourea,3-diethyl-2-hexadecyl-2-thio-, hydriodidePseudourea,3-diethyl-2-hexadecyl-2-thio-, monohydriodideCarbamimidothioic acid,N'-diethyl-, hexadecyl ester, monohydriodide
Database identifiers
- CAS
5339-46-8- PubChem CID
- 79276
- DTXSID
DTXSID50968045
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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