Basic information
- CAS
879933-92-3- Standard SMILES
CCOc1ccc(N=c2nc(Nc3ccccc3)ss2)c(OCC)c1- InChIKey
ADTHGNSVNURTTO-UHFFFAOYSA-N- Molecular formula
- C18H19N3O2S2
- Average molar mass
- 373.5 g/mol
- Monoisotopic mass
- 373.0918692
Names & identifiers
- Preferred name
- 3H-1,2,4-Dithiazol-5-amine, 3-[(2,4-diethoxyphenyl)imino]-N-phenyl-
- IUPAC
- 5-(2,4-diethoxyphenyl)imino-N-phenyl-1,2,4-dithiazol-3-amine
Names & synonyms
879933-92-33H-1,2,4-Dithiazol-5-amine, 3-[(2,4-diethoxyphenyl)imino]-N-phenyl-DTXSID60469770(3E)-3-[(2,4-Diethoxyphenyl)imino]-N-phenyl-3H-1,2,4-dithiazol-5-amine
Database identifiers
- CAS
879933-92-3- PubChem CID
- 11632172
- DTXSID
DTXSID60469770
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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