Basic information
- CAS
296774-13-5- Standard SMILES
CN([11CH3])Cc1ccccc1Sc1ccc(C#N)cc1N- InChIKey
UVWLEPXXYOYDGR-BJUDXGSMSA-N- Molecular formula
- C16H17N3S
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.1257513
Names & identifiers
- Preferred name
- Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)-
- IUPAC
- 3-amino-4-[2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanyl(11C)benzonitrile
Names & synonyms
11c Dasb[11C]DASBDasb C-11296774-13-5Benzonitrile, 3-amino-4-((2-((methylmethyl-11c-amino)methyl)phenyl)thio)-FJU46Q2BPU(11C)DASB11C-DASBUNII-FJU46Q2BPUCHEMBL5397494SCHEMBL29689760DTXSID601319129
Show more names
3-amino-4-[2-[[methyl((111C)methyl)amino]methyl]phenyl]sulfanylbenzonitrile[11C]N,N-Dimethyl-2-(2-amino-4-cyanophenylthio)benzylamine[11C]3-Amino-4-(2-dimethylaminomethylphenylsulfanyl)-benzonitrile3-Amino-4-{[2-({methyl[(~11~C)methyl]amino}methyl)phenyl]sulfanyl}benzonitrile
Database identifiers
- CAS
296774-13-5- PubChem CID
- 656408
- DTXSID
DTXSID601319129- ChEMBL
CHEMBL5397494- UNII
- FJU46Q2BPU
- Nikkaji
- J1.382.452E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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