1-Benzyl-5-methylpyrrolidine-2-thione
Basic information
- CAS
127839-92-3- Standard SMILES
CC1CCC(=S)N1Cc1ccccc1- InChIKey
NYDLBBAOBWANFK-UHFFFAOYSA-N- Molecular formula
- C12H15NS
- Average molar mass
- 205.32 g/mol
Names & identifiers
- Preferred name
- 1-Benzyl-5-methylpyrrolidine-2-thione
- IUPAC
- 1-benzyl-5-methylpyrrolidine-2-thione
- English name
- 2-Pyrrolidinethione, 5-methyl-1-(phenylmethyl)-
- Molecular formula
- C12H15NS
- Molecular weight
- 0
Names & synonyms
1-benzyl-5-methylpyrrolidine-2-thione127839-92-32-Pyrrolidinethione, 5-methyl-1-(phenylmethyl)-2-Pyrrolidinethione, 5-methyl-1-(phenylmethyl)-
Database identifiers
- CAS
127839-92-3
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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