Basic information
- CAS
111915-74-3- Standard SMILES
C=CCN=C(N)SCC.I- InChIKey
PGEQGGNCZZIUQO-UHFFFAOYSA-N- Molecular formula
- C6H13IN2S
- Average molar mass
- 272.15 g/mol
- Monoisotopic mass
- 271.98442
Names & identifiers
- Preferred name
- Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide
- IUPAC
- ethyl N'-prop-2-enylcarbamimidothioate;hydroiodide
Names & synonyms
N-Allyl-S-ethylisothiuronium iodide2-Propenylcarbamimidothioic acid ethyl ester monohydriodide1-Allyl-2-ethyl-2-thiopseudourea hydriodide111915-74-3Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodidePseudourea, 1-allyl-2-ethyl-2-thio-, hydriodideDTXSID20149783Carbamimidothioic acid, 2-propenyl-, ethyl ester, monohydriodide (9CI)RefChem:332775DTXCID5072274Ethyl N'-(prop-2-en-1-yl)carbamimidothioate--hydrogen iodide (1/1)
Database identifiers
- CAS
111915-74-3- PubChem CID
- 3086776
- DTXSID
DTXSID20149783
Properties
Computed structural properties
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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