Pseudourea, 1,3-dimethyl-2-tetradecyl-2-thio-, hydriodide
Basic information
- CAS
5339-43-5- Standard SMILES
CCCCCCCCCCCCCCSC(=NC)NC.I- InChIKey
GRKXFQSMAJOVPK-UHFFFAOYSA-N- Molecular formula
- C17H37IN2S
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.17222
Names & identifiers
- Preferred name
- Pseudourea, 1,3-dimethyl-2-tetradecyl-2-thio-, hydriodide
- IUPAC
- tetradecyl N,N'-dimethylcarbamimidothioate;hydroiodide
Names & synonyms
NSC 3519Pseudourea, 1,3-dimethyl-2-tetradecyl-2-thio-, hydriodide5339-43-51,3-Dimethyl-2-tetradecyl-2-thiopseudourea hydriodidePseudourea, 1,3-dimethyl-2-tetradecyl-2-thio-, monohydriodideDTXSID20201552Carbamimidothioic acid, N,N'-dimethyl-, tetradecyl ester, monohydriodideRefChem:375677DTXCID50124043Pseudourea, 1,3-dimethyl-2-tetradecyl-2-thio-, monohydriodide (8CI)Carbamimidothioic acid, N,N'-dimethyl-, tetradecyl ester, monohydriodide (9CI)NSC3519
Show more names
WLN: 14SYM1&UN1 &HINSC-3519Pseudourea,3-dimethyl-2-tetradecyl-2-thio-, hydriodidePseudourea,3-dimethyl-2-tetradecyl-2-thio-, monohydriodideTetradecyl N,N'-dimethylcarbamimidothioate--hydrogen iodide (1/1)Carbamimidothioic acid,N'-dimethyl-, tetradecyl ester, monohydriodideCarbamimidothioic acid, N,N'-dimethyl-, tetradecyl ester, hydroiodide (1:1)
Database identifiers
- CAS
5339-43-5- PubChem CID
- 79270
- DTXSID
DTXSID20201552
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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