[(Z)-(5-bromo-2-ethoxy-3-iodophenyl)methylideneamino]thiourea

C10H11BrIN3OS — CID 5433168

IUPAC[(Z)-(5-bromo-2-ethoxy-3-iodophenyl)methylideneamino]thiourea
SMILESCCOc1c(I)cc(Br)cc1/C=N\NC(N)=S
InChIInChI=1S/C10H11BrIN3OS/c1-2-16-9-6(5-14-15-10(13)17)3-7(11)4-8(9)12/h3-5H,2H2,1H3,(H3,13,15,17)/b14-5-
InChIKeySULRHGWARXSIQB-RZNTYIFUSA-N
MW428.09 g/mol
LogP2.62
Rot. Bonds4

About [(Z)-(5-bromo-2-ethoxy-3-iodophenyl)methylideneamino]thiourea

[(Z)-(5-bromo-2-ethoxy-3-iodophenyl)methylideneamino]thiourea (PubChem CID 5433168) has the molecular formula C10H11BrIN3OS and a molecular weight of 428.09 g/mol. Its IUPAC name is [(Z)-(5-bromo-2-ethoxy-3-iodophenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-(5-bromo-2-ethoxy-3-iodophenyl)methylideneamino]thiourea
PubChem CID5433168
Molecular FormulaC10H11BrIN3OS
Molecular Weight428.09 g/mol
Exact Mass426.89
IUPAC Name[(Z)-(5-bromo-2-ethoxy-3-iodophenyl)methylideneamino]thiourea
SMILESCCOc1c(I)cc(Br)cc1/C=N\NC(N)=S
InChIInChI=1S/C10H11BrIN3OS/c1-2-16-9-6(5-14-15-10(13)17)3-7(11)4-8(9)12/h3-5H,2H2,1H3,(H3,13,15,17)/b14-5-
InChIKeySULRHGWARXSIQB-RZNTYIFUSA-N
XLogP2.62
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.09
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[(5-bromo-3-iodo-2-prop-2-enoxyphenyl)methylideneamino]urea
CID 168533303
[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea
CID 135851181
[(4-ethoxy-3,5-dimethylphenyl)methylideneamino]thiourea
CID 168534373
[(2-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 57360365
2-[(5-bromo-3-iodo-2-propoxyphenyl)methylideneamino]guanidine
CID 168592012
[(E)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]thiourea
CID 19617604
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]thiourea
CID 5412812
methyl 4-[(carbamothioylhydrazinylidene)methyl]-3-ethoxybenzoate
CID 168535859
[3-[(carbamothioylhydrazinylidene)methyl]-4-ethoxyphenyl]boronic acid
CID 168535099
[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]thiourea
CID 5026063
4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135642919
[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]thiourea
CID 168535289

Frequently Asked Questions

What is the IUPAC name of [(Z)-(5-bromo-2-ethoxy-3-iodophenyl)methylideneamino]thiourea?
The IUPAC name of [(Z)-(5-bromo-2-ethoxy-3-iodophenyl)methylideneamino]thiourea (CID 5433168) is [(Z)-(5-bromo-2-ethoxy-3-iodophenyl)methylideneamino]thiourea.
What is the SMILES notation for [(Z)-(5-bromo-2-ethoxy-3-iodophenyl)methylideneamino]thiourea?
The canonical SMILES for [(Z)-(5-bromo-2-ethoxy-3-iodophenyl)methylideneamino]thiourea is CCOc1c(I)cc(Br)cc1/C=N\NC(N)=S.
What is the InChIKey of [(Z)-(5-bromo-2-ethoxy-3-iodophenyl)methylideneamino]thiourea?
The InChIKey is SULRHGWARXSIQB-RZNTYIFUSA-N. The full InChI is InChI=1S/C10H11BrIN3OS/c1-2-16-9-6(5-14-15-10(13)17)3-7(11)4-8(9)12/h3-5H,2H2,1H3,(H3,13,15,17)/b14-5-.
What are the key properties of [(Z)-(5-bromo-2-ethoxy-3-iodophenyl)methylideneamino]thiourea?
[(Z)-(5-bromo-2-ethoxy-3-iodophenyl)methylideneamino]thiourea has a molecular weight of 428.09 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(5-bromo-2-ethoxy-3-iodophenyl)methylideneamino]thiourea is sourced from PubChem (CID 5433168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).