Basic information
- CAS
10083-53-1- Standard SMILES
CNCCC=C1c2ccccc2CCc2sccc21- InChIKey
RDBMZAMQBNYOIJ-UHFFFAOYSA-N- Molecular formula
- C17H19NS
- Average molar mass
- 269.4 g/mol
- Monoisotopic mass
- 269.12382078
Names & identifiers
- Preferred name
- N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine
- IUPAC
- N-methyl-3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)propan-1-amine
Names & synonyms
IBD 7810083-53-1DTXSID6010300583-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-N-methyl-1-propanamine
Database identifiers
- CAS
10083-53-1- PubChem CID
- 20596
- DTXSID
DTXSID601030058
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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