1-(4-Amino-2-methylphenyl)pyrrolidine-2-thione
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Basic information
- CAS
625102-14-9- Standard SMILES
Cc1cc(N)ccc1N1CCCC1=S- InChIKey
UZVREMADMXQCNW-UHFFFAOYSA-N- Molecular formula
- C11H14N2S
- Average molar mass
- 206.31 g/mol
Names & identifiers
- Preferred name
- 1-(4-Amino-2-methylphenyl)pyrrolidine-2-thione
- IUPAC
- 1-(4-amino-2-methylphenyl)pyrrolidine-2-thione
- English name
- 2-Pyrrolidinethione, 1-(4-amino-2-methylphenyl)-
- Molecular formula
- C11H14N2S
- Molecular weight
- 206.31
Names & synonyms
1-(4-amino-2-methylphenyl)pyrrolidine-2-thione625102-14-9SCHEMBL5631995UZVREMADMXQCNW-UHFFFAOYSA-N2-Pyrrolidinethione, 1-(4-amino-2-methylphenyl)-
Database identifiers
- CAS
625102-14-9
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 367.5 · 367.5±52.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 4.38 · 4.38±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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