Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester

HCID 60030

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Basic information

CAS: 105858-86-4
Standard SMILES: CCN(CC)C(=S)SCC(=Nc1ccccc1)Nc1ccccc1
InChIKey: GHKBYUPKUSXNKN-UHFFFAOYSA-N
Molecular formula: C19H23N3S2
Average molar mass: 357.5 g/mol
Monoisotopic mass: 357.13334009

Names & identifiers

Preferred name: Carbamodithioic acid, diethyl-, 2-(phenylamino)-2-(phenylimino)ethyl ester
IUPAC: (2-anilino-2-phenyliminoethyl) N,N-diethylcarbamodithioate

Names & synonyms

BRN 5977269CARBAMODITHIOIC ACID, DIETHYL-, 2-(PHENYLAMINO)-2-(PHENYLIMINO)ETHYL ESTERDiethylcarbamodithioic acid 2-(phenylamino)-2-(phenylimino)ethyl ester105858-86-42-(Phenylamino)-2-(phenylimino)ethyl diethylcarbamodithioateDTXSID80147366RefChem:332841DTXCID3069857CHEMBL162941(2E)-2-Anilino-2-(phenylimino)ethyl diethylcarbamodithioate

Database identifiers

CAS: 105858-86-4
PubChem CID: 60030
DTXSID: DTXSID80147366
ChEMBL: CHEMBL162941

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 85 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 395

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