Basic information
- CAS
105858-93-3- Standard SMILES
CCN(CC)C(=S)SCC(=Nc1ccc(OC)cc1)Nc1ccc(OC)cc1- InChIKey
WYDYSOVZDXKIMI-UHFFFAOYSA-N- Molecular formula
- C21H27N3O2S2
- Average molar mass
- 417.6 g/mol
- Monoisotopic mass
- 417.15446946
Names & identifiers
- Preferred name
- Carbamodithioic acid, diethyl-, 2-((4-methoxyphenyl)amino)-2-((4-methoxyphenyl)imino)ethyl ester
- IUPAC
- [2-(4-methoxyanilino)-2-(4-methoxyphenyl)iminoethyl] N,N-diethylcarbamodithioate
Names & synonyms
Carbamodithioic acid, diethyl-, 2-((4-methoxyphenyl)amino)-2-((4-methoxyphenyl)imino)ethyl ester105858-93-3DTXSID70147370Diethylcarbamodithioic acid 2-((4-methoxyphenyl)amino)-2-((4-methoxyphenyl)imino)ethyl esterRefChem:332835DTXCID7069861CHEMBL159318(2E)-2-(4-Methoxyanilino)-2-[(4-methoxyphenyl)imino]ethyl diethylcarbamodithioate
Database identifiers
- CAS
105858-93-3- PubChem CID
- 60037
- DTXSID
DTXSID70147370- ChEMBL
CHEMBL159318
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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