4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide
Basic information
- CAS
24722-97-2- Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1.N=C(N)c1cccc(OCc2ccccc2)c1- InChIKey
IDIVEJVEXWVWOR-UHFFFAOYSA-N- Molecular formula
- C21H22N2O4S
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.13002836
Names & identifiers
- Preferred name
- 4-Methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamide
- IUPAC
- 4-methylbenzenesulfonic acid;3-phenylmethoxybenzenecarboximidamide
Names & synonyms
24722-97-2NSC2116274-methylbenzenesulfonic acid; 3-phenylmethoxybenzenecarboximidamideDTXSID60309288NSC-2116274-Methylbenzene-1-sulfonic acid--3-(benzyloxy)benzene-1-carboximidamide (1/1)
Database identifiers
- CAS
24722-97-2- PubChem CID
- 309356
- DTXSID
DTXSID60309288
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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