N-methyl-N-propyl-1,3-benzothiazol-2-amine
Basic information
- CAS
108656-85-5- Standard SMILES
CCCN(C)c1nc2ccccc2s1- InChIKey
ZAOSNHRAYNZTQK-UHFFFAOYSA-N- Molecular formula
- C11H14N2S
- Average molar mass
- 206.31 g/mol
- Monoisotopic mass
- 206.08776963
Names & identifiers
- Preferred name
- N-methyl-N-propyl-1,3-benzothiazol-2-amine
- IUPAC
- N-methyl-N-propyl-1,3-benzothiazol-2-amine
- English name
- 2-Benzothiazolamine,N-methyl-N-propyl-(9CI)
- Molecular formula
- C11H14N2S
- Molecular weight
- 206.31
Names & synonyms
N-Methyl-N-propyl-2-benzothiazolamine2-Benzothiazolamine, N-methyl-N-propyl-2-Benzothiazolamine,N-methyl-N-propyl-(9CI)
Database identifiers
- CAS
108656-85-5- PubChem CID
- 13625017
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 297 · 297.0±23.0 °C(Predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- pka
- 3.81 · 3.81±0.10(Predicted)
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Compound notes
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