{1-[(2-Iodo-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene}acetonitrile
Basic information
- CAS
823816-07-5- Standard SMILES
N#CC=C1NCCN1Cc1cnc(I)s1- InChIKey
IHWXESKBSBCKKU-UHFFFAOYSA-N- Molecular formula
- C9H9IN4S
- Average molar mass
- 332.17 g/mol
- Monoisotopic mass
- 331.95927
Names & identifiers
- Preferred name
- {1-[(2-Iodo-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene}acetonitrile
- IUPAC
- 2-[1-[(2-iodo-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]acetonitrile
Names & synonyms
DTXSID40838046{1-[(2-Iodo-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene}acetonitrile
Database identifiers
- CAS
823816-07-5- PubChem CID
- 71418754
- DTXSID
DTXSID40838046
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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