[(E)-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]thiourea
Basic information
- CAS
6246-40-8- Standard SMILES
COc1cc(/C=N/NC(N)=S)cc(Br)c1OCc1ccccc1F- InChIKey
DWEHQOULYWLDKU-DNTJNYDQSA-N- Molecular formula
- C16H15BrFN3O2S
- Average molar mass
- 412.3 g/mol
- Monoisotopic mass
- 411.00524
Overview
[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]thiourea is a member of methoxybenzenes.
Names & identifiers
- Preferred name
- [(E)-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]thiourea
- IUPAC
- [(E)-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]thiourea
- English name
- 2-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile
- Molecular formula
- C11H17NO
- Molecular weight
- 179.26
Names & synonyms
6246-40-8[(E)-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]thioureaMLS000680519SCHEMBL1218657CHEMBL1972996DTXSID90417608CHEBI:120044(2E)-2-({3-Bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl}methylidene)hydrazine-1-carbothioamideMFCD02126735STK098465ZINC33317556AKOS000325232
Show more names
CyanohydrincamphorBicyclo[2.2.1]heptane-2-carbonitrile, 2-hydroxy-1,7,7-trimethyl-
SMR000268696ZINC000008830304COc1cc(C=NNC(=S)N)cc(c1OCc1ccccc1F)BrAB00104773-01COC1=C(C(=CC(=C1)C=NNC(=S)N)Br)OCC2=CC=CC=C2F2-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile((E)(3BROMO4(2FLUOROBENZYL)OXY5METHOXYBENZYLIDENE)AMINO)THIOUREA(E)2(3bromo4((2fluorobenzyl)oxy)5methoxybenzylidene)hydrazinecarbothioamide
Database identifiers
- CAS
6246-40-8
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 444
Chemistry & industry
Additional notes
DefinitionChEBI: [[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]thiourea is a member of methoxybenzenes.
Related reactions
0 records
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Compound notes
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