Basic information
- CAS
63905-40-8- Standard SMILES
CN(C)C/C=C/Sc1ccccc1- InChIKey
MUWIULGHAOVBOB-UHFFFAOYSA-N- Molecular formula
- C11H15NS
- Average molar mass
- 193.31 g/mol
- Monoisotopic mass
- 193.09252066
Names & identifiers
- Preferred name
- Allylamine, N,N-dimethyl-3-(phenylthio)-
- IUPAC
- (E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine
- English name
- 3-(Phenylthio)-N,N-dimethyl-2-propen-1-amine
- Molecular formula
- C11H15NS
- Molecular weight
- 193.31
Names & synonyms
ALLYLAMINE, N,N-DIMETHYL-3-(PHENYLTHIO)-63905-40-8RefChem:1076371USAF A-4720BRN 2357929N,N-Dimethyl-gamma-(phenylthio)-allylamine3-(Phenylthio)-N,N-dimethyl-2-propen-1-amine2-Propen-1-amine, N,N-dimethyl-3-(phenylthio)-
Database identifiers
- CAS
63905-40-8- PubChem CID
- 6434752
- Nikkaji
- J90.473B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 148
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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