Basic information
- CAS
16914-91-3- Standard SMILES
CCCCCCCCCCCCSC(=N)N.I- InChIKey
CLYDWXJZMRGGIY-UHFFFAOYSA-N- Molecular formula
- C13H29IN2S
- Average molar mass
- 372.35 g/mol
- Monoisotopic mass
- 372.10962
Names & identifiers
- Preferred name
- Carbamimidothioic acid, dodecyl ester, monohydroiodide
- IUPAC
- dodecyl carbamimidothioate;hydroiodide
Names & synonyms
16914-91-3Carbamimidothioic acid, dodecyl ester, monohydroiodideRefChem:1080991Carbamimidothioic acid, dodecyl ester, monohydriodideS-Dodecylisothiourea iodideS-Dodecylisothiuronium iodideAI3-19865Pseudourea, 2-dodecyl-2-thio-, hydriodidePseudourea, 2-dodecyl-2-thio-, monohydroiodideDTXSID00937600Dodecyl carbamimidothioate--hydrogen iodide (1/1)
Database identifiers
- CAS
16914-91-3- PubChem CID
- 85641
- DTXSID
DTXSID00937600
Properties
Computed structural properties
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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