Carbamodithioic acid, diethyl-, 2-((4-methylphenyl)amino)-2-(phenylimino)ethyl ester
Basic information
- CAS
105858-87-5- Standard SMILES
CCN(CC)C(=S)SCC(=Nc1ccc(C)cc1)Nc1ccccc1- InChIKey
QMODFZIXFFBZNB-UHFFFAOYSA-N- Molecular formula
- C20H25N3S2
- Average molar mass
- 371.6 g/mol
- Monoisotopic mass
- 371.14899016
Names & identifiers
- Preferred name
- Carbamodithioic acid, diethyl-, 2-((4-methylphenyl)amino)-2-(phenylimino)ethyl ester
- IUPAC
- [2-anilino-2-(4-methylphenyl)iminoethyl] N,N-diethylcarbamodithioate
Names & synonyms
105858-87-5Carbamodithioic acid, diethyl-, 2-((4-methylphenyl)amino)-2-(phenylimino)ethyl esterRefChem:1081011BRN 5980856Diethylcarbamodithioic acid 2-((4-methylphenyl)amino)-2-(phenylimino)ethyl esterCHEMBL436038DTXSID809097692-(4-Methylanilino)-2-(phenylimino)ethyl diethylcarbamodithioate
Database identifiers
- CAS
105858-87-5- PubChem CID
- 60031
- DTXSID
DTXSID80909769- ChEMBL
CHEMBL436038
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 421
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Compound notes
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