4-Amino-2-fluorophenyl 1-methylimidazol-2-yl sulphide

HCID 28972767

Notes Reactions

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Basic information

Standard SMILES: Cn1ccnc1Sc1ccc(N)cc1F
InChIKey: WHSUDOOSFCJKMQ-UHFFFAOYSA-N
Molecular formula: C10H10FN3S
Average molar mass: 223.27 g/mol

Names & identifiers

Preferred name: 4-Amino-2-fluorophenyl 1-methylimidazol-2-yl sulphide
IUPAC: 3-fluoro-4-(1-methylimidazol-2-yl)sulfanylaniline

Names & synonyms

SCHEMBL4029532WHSUDOOSFCJKMQ-UHFFFAOYSA-NDB-1833753-fluoro-4-(1-methyl-1H-imidazol-2-ylthio)aniline4-amino-2-fluorophenyl 1-methylimidazol-2-yl sulphide3-fluoro-4-[(1-methyl-1H-imidazol-2-yl)thio]aniline3-Fluoro-4-[(1-methyl-1h-imidazol-2-yl)thio]benzenamine524954-84-5

Database identifiers

PubChem CID: 28972767

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 69.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 217

Related reactions

1 records

New reaction record

HRID 399484As reactantuspto-grants-1998_10

Compound notes

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