Basic information
- CAS
105858-92-2- Standard SMILES
CCOc1ccc(NC(CSC(=S)N(CC)CC)=Nc2ccc(C)cc2)cc1- InChIKey
SLBDYHWIYUUPTA-UHFFFAOYSA-N- Molecular formula
- C22H29N3OS2
- Average molar mass
- 415.6 g/mol
- Monoisotopic mass
- 415.1752049
Names & identifiers
- Preferred name
- Carbamodithioic acid, diethyl-, 2-((4-ethoxyphenyl)amino)-2-((4-methylphenyl)imino)ethyl ester
- IUPAC
- [2-(4-ethoxyanilino)-2-(4-methylphenyl)iminoethyl] N,N-diethylcarbamodithioate
Names & synonyms
BRN 5993636Carbamodithioic acid, diethyl-, 2-((4-ethoxyphenyl)amino)-2-((4-methylphenyl)imino)ethyl ester105858-92-2DTXSID60147369Diethylcarbamodithioic acid 2-((4-ethoxyphenyl)amino)-2-((4-methylphenyl)imino)ethyl esterRefChem:332834DTXCID2069860CHEMBL159329(2E)-2-(4-Ethoxyanilino)-2-[(4-methylphenyl)imino]ethyl diethylcarbamodithioate
Database identifiers
- CAS
105858-92-2- PubChem CID
- 60036
- DTXSID
DTXSID60147369- ChEMBL
CHEMBL159329
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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