Basic information
- CAS
1153327-13-9- Standard SMILES
N=C(N)c1cnc2ccccc2c1Sc1ncccn1- InChIKey
WOIZJABSNZAETM-UHFFFAOYSA-N- Molecular formula
- C14H11N5S
- Average molar mass
- 281.34 g/mol
- Monoisotopic mass
- 281.07351655
Names & identifiers
- Preferred name
- 4-(2-Pyrimidinylthio)-3-quinolinecarboximidamide
- IUPAC
- 4-pyrimidin-2-ylsulfanylquinoline-3-carboximidamide
Names & synonyms
4-(2-Pyrimidinylthio)-3-quinolinecarboximidamideDTXSID4012386541153327-13-94-[(Pyrimidin-2-yl)sulfanyl]quinoline-3-carboximidamide
Database identifiers
- CAS
1153327-13-9- PubChem CID
- 43669949
- DTXSID
DTXSID401238654
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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