Basic information
- CAS
105858-90-0- Standard SMILES
CCN(CC)C(=S)SCC(=Nc1ccc(C)cc1)Nc1ccc(C)cc1- InChIKey
FWLCYOBOLHJMCL-UHFFFAOYSA-N- Molecular formula
- C21H27N3S2
- Average molar mass
- 385.6 g/mol
- Monoisotopic mass
- 385.16464022
Names & identifiers
- Preferred name
- Carbamodithioic acid, diethyl-, 2-((4-methylphenyl)amino)-2-((4-methylphenyl)imino)ethyl ester
- IUPAC
- [2-(4-methylanilino)-2-(4-methylphenyl)iminoethyl] N,N-diethylcarbamodithioate
Names & synonyms
BRN 5982687Carbamodithioic acid, diethyl-, 2-((4-methylphenyl)amino)-2-((4-methylphenyl)imino)ethyl ester105858-90-0DTXSID001473682-((4-Methylphenyl)amino)-2-((4-methylphenyl)imino)ethyl diethylcarbamodithioateRefChem:332838DTXCID3069859CHEMBL162942(2E)-2-(4-Methylanilino)-2-[(4-methylphenyl)imino]ethyl diethylcarbamodithioate
Database identifiers
- CAS
105858-90-0- PubChem CID
- 60034
- DTXSID
DTXSID00147368- ChEMBL
CHEMBL162942
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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