Basic information
- CAS
105858-94-4- Standard SMILES
CCOc1ccc(N=C(CSC(=S)N(CC)CC)Nc2ccc(OC)cc2)cc1- InChIKey
IEIRTQHMYQQWSP-UHFFFAOYSA-N- Molecular formula
- C22H29N3O2S2
- Average molar mass
- 431.6 g/mol
- Monoisotopic mass
- 431.17011952
Names & identifiers
- Preferred name
- Carbamodithioic acid, diethyl-, 2-((4-ethoxyphenyl)amino)-2-((4-methoxyphenyl)imino)ethyl ester
- IUPAC
- [2-(4-ethoxyphenyl)imino-2-(4-methoxyanilino)ethyl] N,N-diethylcarbamodithioate
Names & synonyms
BRN 6006443Carbamodithioic acid, diethyl-, 2-((4-ethoxyphenyl)amino)-2-((4-methoxyphenyl)imino)ethyl ester105858-94-4DTXSID30147371Diethylcarbamodithioic acid 2-((4-ethoxyphenyl)amino)-2-((4-methoxyphenyl)imino)ethyl esterRefChem:332833DTXCID2069862CHEMBL163184(2E)-2-[(4-Ethoxyphenyl)imino]-2-(4-methoxyanilino)ethyl diethylcarbamodithioate
Database identifiers
- CAS
105858-94-4- PubChem CID
- 60038
- DTXSID
DTXSID30147371- ChEMBL
CHEMBL163184
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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