Basic information
- CAS
105858-88-6- Standard SMILES
CCN(CC)C(=S)SCC(=Nc1ccc(OC)cc1)Nc1ccccc1- InChIKey
ZZCQVBJSBNDULC-UHFFFAOYSA-N- Molecular formula
- C20H25N3OS2
- Average molar mass
- 387.6 g/mol
- Monoisotopic mass
- 387.14390478
Names & identifiers
- Preferred name
- Carbamodithioic acid, diethyl-, 2-((4-methoxyphenyl)amino)-2-(phenylimino)ethyl ester
- IUPAC
- [2-anilino-2-(4-methoxyphenyl)iminoethyl] N,N-diethylcarbamodithioate
- English name
- Diethylcarbamodithioic acid 2-((4-methoxyphenyl)amino)-2-(phenylimino) ethyl ester
- Molecular weight
- 0
Names & synonyms
105858-88-6BRN 5988129Carbamodithioic acid, diethyl-, 2-((4-methoxyphenyl)amino)-2-(phenylimino)ethyl esterDTXSID40147367Diethylcarbamodithioic acid 2-((4-methoxyphenyl)amino)-2-(phenylimino)ethyl esterRefChem:332837DTXCID8069858[2-anilino-2-(4-methoxyphenyl)iminoethyl] N,N-diethylcarbamodithioateCHEMBL164305(2E)-2-Anilino-2-[(4-methoxyphenyl)imino]ethyl diethylcarbamodithioateDiethylcarbamodithioic acid 2-((4-methoxyphenyl)amino)-2-(phenylimino) ethyl ester
Database identifiers
- CAS
105858-88-6- PubChem CID
- 60032
- DTXSID
DTXSID40147367- ChEMBL
CHEMBL164305
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 440
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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