Pseudourea, 2,2'-(methylethylene)bis(1-(m-chlorophenyl)-2-thio-, dihydrobromide

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Basic information

CAS: 73840-05-8
Standard SMILES: Br.Br.CC1=CC(Cl)=CC(/C=C/c2c(Cl)cccc2NC(N)=S)(NC(N)=S)C1
InChIKey: NGTWRORFKOIELN-TXOOBNKBSA-N
Molecular formula: C17H20Br2Cl2N4S2
Average molar mass: 575.2 g/mol
Monoisotopic mass: 571.88732

Names & identifiers

Preferred name: Pseudourea, 2,2'-(methylethylene)bis(1-(m-chlorophenyl)-2-thio-, dihydrobromide
IUPAC: [2-[(E)-2-[1-(carbamothioylamino)-3-chloro-5-methylcyclohexa-2,4-dien-1-yl]ethenyl]-3-chlorophenyl]thiourea;dihydrobromide

Names & synonyms

Pseudourea, 2,2'-(methylethylene)bis(1-(m-chlorophenyl)-2-thio-, dihydrobromide73840-05-8RefChem:10970911,2-Propylene-bis-m-chlorophenyl isothiuronium dihydrobromide2,2'-(Methylethylene)bis(1-(m-chlorophenyl)-2-thiopseudourea) dihydrobromide

Database identifiers

CAS: 73840-05-8
PubChem CID: 6447337

Properties

Computed structural properties

Topological polar surface area: 140 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 27
Formal charge: 0
Complexity: 632

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Compound notes

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