Basic information
- CAS
5395-98-2- Standard SMILES
CCCCCCCCCCCCSC(=NC)NC.I- InChIKey
UVZFSSUXLWWLSM-UHFFFAOYSA-N- Molecular formula
- C15H33IN2S
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.14092
Names & identifiers
- Preferred name
- Dodecyl N,N'-dimethylcarbamimidothioate--hydrogen iodide (1/1)
- IUPAC
- dodecyl N,N'-dimethylcarbamimidothioate;hydroiodide
Names & synonyms
5395-98-2DTXSID20968759Dodecyl N,N'-dimethylcarbamimidothioate--hydrogen iodide (1/1)RefChem:1083966DTXCID101396328NSC 3518Pseudourea, 2-dodecyl-1,3-dimethyl-2-thio-, hydriodide2-Dodecyl-1,3-dimethyl-2-thiopseudourea hydriodideCarbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydriodide1-dodecylsulfanyl-N,N-dimethyl-methanimidamideNSC3518WLN: 12SYM1&UN1 &HI
Show more names
NSC-3518DS-002829Carbamimidothioic acid,N'-dimethyl-, dodecyl ester, monohydriodideCarbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, hydroiodide (1:1)
Database identifiers
- CAS
5395-98-2- PubChem CID
- 79376
- DTXSID
DTXSID20968759
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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