2-Benzothiazolamine, N-(1-ethyl-2-pyrrolidinylidene)-
Basic information
- CAS
84859-08-5- Standard SMILES
CCN1CCC/C1=N/c1nc2ccccc2s1- InChIKey
WWQDJFZCGRJBOR-UHFFFAOYSA-N- Molecular formula
- C13H15N3S
- Average molar mass
- 245.35 g/mol
- Monoisotopic mass
- 245.09866866
Names & identifiers
- Preferred name
- 2-Benzothiazolamine, N-(1-ethyl-2-pyrrolidinylidene)-
- IUPAC
- (Z)-N-(1,3-benzothiazol-2-yl)-1-ethylpyrrolidin-2-imine
- English name
- 2-Benzothiazolamine, N-(1-ethyl-2-pyrrolidinylidene)-
- Molecular formula
- C13H15N3S
- Molecular weight
- 245.34
Names & synonyms
2-Benzothiazolamine, N-(1-ethyl-2-pyrrolidinylidene)-84859-08-5RefChem:1062365BRN 4442596N-(1-Ethyl-2-pyrrolidinylidene)-2-benzothiazolamine
Database identifiers
- CAS
84859-08-5- PubChem CID
- 6510102
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 375.891 · 375.891±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.29 · 1.290±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.754 · 6.754±0.20(predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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