Compound C27H35Br2N3S

2-[4-[anilino(phenyl)methylidene]azaniumylphenyl]sulfanylethyl-di(propan-2-yl)azanium dibromide

CAS: 80784-95-8

Molecular Formula	`C27H35Br2N3S`
Molecular Weight	593.5 g/mol
Topological Polar Surface Area	55.7 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	10
Exact Mass	593.0898
Heavy Atoms	33
Complexity	505.0

Chemical Identifiers

CAS Number	80784-95-8
SMILES	`CC(C)[NH+](CCSC1=CC=C(C=C1)[NH+]=C(C2=CC=CC=C2)NC3=CC=CC=C3)C(C)C.[Br-].[Br-]`
InChIKey	`CXICPDHLXRKZQH-UHFFFAOYSA-N`

📖 Product Overview

Compound C27H35Br2N3S (CAS: 80784-95-8) is a chemical compound with molecular formula C27H35Br2N3S and molecular weight 593.5 g/mol. Its IUPAC systematic name is 2-[4-[anilino(phenyl)methylidene]azaniumylphenyl]sulfanylethyl-di(propan-2-yl)azanium dibromide. Topological Polar Surface Area 55.7 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 3 Rotatable Bonds 10 Exact Mass 593.0898 Heavy Atoms 33 Complexity 505.0 InChI Key: CXICPDHLXRKZQH-UHFFFAOYSA-N. SMILES: CC(C)[NH+](CCSC1=CC=C(C=C1)[NH+]=C(C2=CC=CC=C2)NC3=CC=CC=C3)C(C)C.[Br-].[Br-].

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