Basic information
- CAS
77822-82-3- Standard SMILES
C(=Nc1ccc2c(c1)OCO2)c1cccs1- InChIKey
TWKCGCHKEUVNLF-UHFFFAOYSA-N- Molecular formula
- C12H9NO2S
- Average molar mass
- 231.27 g/mol
- Monoisotopic mass
- 231.0353997
Names & identifiers
- Preferred name
- N-(2-Thienylmethylene)-1,3-benzodioxol-5-amine
- IUPAC
- N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylmethanimine
Names & synonyms
N-(2-Thienylmethylene)-1,3-benzodioxol-5-amine77822-82-3N-(1,3-benzodioxol-5-yl)-1-thiophen-2-ylmethanimineMaybridge1_005897N-Thenylidene-5-aminobenzodioxole-1,31,3-Benzodioxol-5-amine, N-(2-thienylmethylene)-HMS558E01
Database identifiers
- CAS
77822-82-3- PubChem CID
- 696236
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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