Completing data — usually done within a minute
Basic information
- CAS
120882-29-3- Standard SMILES
CS(=N)(=N)CC(Cc1ccccc1)C(=O)O- InChIKey
FKHYVJWYNYZPCA-UHFFFAOYSA-N- Molecular formula
- C11H16N2O2S
- Average molar mass
- 240.32 g/mol
- Monoisotopic mass
- 240.09324875
Names & identifiers
- Preferred name
- 2-Benzyl-3-(S-methanesulfonodiimidoyl)propanoic acid
- IUPAC
- 2-benzyl-3-(methylsulfonodiimidoyl)propanoic acid
Names & synonyms
120882-29-3SCHEMBL17813735DTXSID8011866872-Benzyl-3-(S-methanesulfonodiimidoyl)propanoic acidBenzenepropanoic acid, alpha-[(S-methylsulfonodiimidoyl)methyl]-Benzenepropanoic acid, I+/--[(S-methylsulfonodiimidoyl)methyl]-
Database identifiers
- CAS
120882-29-3- PubChem CID
- 5127
- DTXSID
DTXSID801186687
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…