2-Dodecyl-1,3-diethyl-2-thiopseudourea hydriodide
Basic information
- CAS
5394-72-9- Standard SMILES
CCCCCCCCCCCCSC(=NCC)NCC.I- InChIKey
BQKNKIBSGQFMOH-UHFFFAOYSA-N- Molecular formula
- C17H37IN2S
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.17222
Names & identifiers
- Preferred name
- 2-Dodecyl-1,3-diethyl-2-thiopseudourea hydriodide
- IUPAC
- dodecyl N,N'-diethylcarbamimidothioate;hydroiodide
Names & synonyms
5394-72-92-Dodecyl-1,3-diethyl-2-thiopseudourea hydriodideRefChem:1062978NSC 3520Pseudourea, 2-dodecyl-1,3-diethyl-2-thio-, hydriodidePseudourea, 2-dodecyl-1,3-diethyl-2-thio-, monohydriodideCarbamimidothioic acid, N,N'-diethyl-, dodecyl ester, monohydriodideDTXSID30968740NSC3520WLN: 12SYM2&UN2 &HINSC-3520Pseudourea,3-diethyl-2-thio-, hydriodide
Show more names
Pseudourea,3-diethyl-2-thio-, monohydriodideDodecyl N,N'-diethylcarbamimidothioate--hydrogen iodide (1/1)Carbamimidothioic acid,N'-diethyl-, dodecyl ester, monohydriodideCarbamimidothioic acid, N,N'-diethyl-, dodecyl ester, hydroiodide (1:1)
Database identifiers
- CAS
5394-72-9- PubChem CID
- 79369
- DTXSID
DTXSID30968740
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 217
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Compound notes
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