Basic information
- CAS
5339-44-6- Standard SMILES
CCCCCCCCCCCCCCSC(=NCC)NCC.Cl- InChIKey
FYKYPIIIZQSMGY-UHFFFAOYSA-N- Molecular formula
- C19H41ClN2S
- Average molar mass
- 365.1 g/mol
- Monoisotopic mass
- 364.2678982
Names & identifiers
- Preferred name
- Pseudourea, 1,3-diethyl-2-tetradecyl-2-thio-, hydriodide
- IUPAC
- tetradecyl N,N'-diethylcarbamimidothioate;hydrochloride
Names & synonyms
Pseudourea, 1,3-diethyl-2-tetradecyl-2-thio-, hydriodide63680-39-7RefChem:10970895339-44-6NSC 3521Pseudourea, 1,3-diethyl-2-tetradecyl-2-thio-, hydrochlorideCarbamimidothioic acid, N,N'-diethyl-, tetradecyl ester, hydrochloride (1:1)1,3-Diethyl-2-tetradecyl-2-thiopseudourea hydrochloridePseudourea, 1,3-diethyl-2-tetradecyl-2-thio-, monohydrochlorideCarbamimidothioic acid, N,N'-diethyl-, tetradecyl ester, monohydrochloride1,3-Diethyl-2-tetradecyl-2-thiopseudourea hydriodideDTXSID90968044
Show more names
NSC3521WLN: 14SYM2&UN2 &GHNSC-3521Pseudourea,3-diethyl-2-tetradecyl-2-thio-, hydrochlorideTetradecyl N,N'-diethylcarbamimidothioate hydrogen chloridePseudourea,3-diethyl-2-tetradecyl-2-thio-, monohydrochlorideTetradecyl N,N'-diethylcarbamimidothioate--hydrogen chloride (1/1)Carbamimidothioic acid,N'-diethyl-, tetradecyl ester, monohydrochloride
Database identifiers
- CAS
5339-44-6、63680-39-7- PubChem CID
- 79272
- DTXSID
DTXSID90968044
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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