[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea

C10H11Br2N3O2S — CID 135851181

IUPAC[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea
SMILESCCOc1cc(/C=N/NC(N)=S)c(Br)c(Br)c1O
InChIInChI=1S/C10H11Br2N3O2S/c1-2-17-6-3-5(4-14-15-10(13)18)7(11)8(12)9(6)16/h3-4,16H,2H2,1H3,(H3,13,15,18)/b14-4+
InChIKeyZYFVWOJQXXMNFW-LNKIKWGQSA-N
MW397.09 g/mol
LogP2.48
Rot. Bonds4

About [(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea

[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea (PubChem CID 135851181) has the molecular formula C10H11Br2N3O2S and a molecular weight of 397.09 g/mol. Its IUPAC name is [(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea
PubChem CID135851181
Molecular FormulaC10H11Br2N3O2S
Molecular Weight397.09 g/mol
Exact Mass394.89
IUPAC Name[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea
SMILESCCOc1cc(/C=N/NC(N)=S)c(Br)c(Br)c1O
InChIInChI=1S/C10H11Br2N3O2S/c1-2-17-6-3-5(4-14-15-10(13)18)7(11)8(12)9(6)16/h3-4,16H,2H2,1H3,(H3,13,15,18)/b14-4+
InChIKeyZYFVWOJQXXMNFW-LNKIKWGQSA-N
XLogP2.48
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.09
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

[(2-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 57360365
[(E)-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]thiourea
CID 19617604
3-bromo-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135579634
(2R)-N-[(Z)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 136816629
N-[(Z)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 135644732
[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea
CID 4542145
[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]thiourea
CID 168535716
N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137162400
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]thiourea
CID 5412812
2-chloro-N-[(Z)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135926015
[3-[(carbamothioylhydrazinylidene)methyl]-4-ethoxyphenyl]boronic acid
CID 168535099
2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135821657

Frequently Asked Questions

What is the IUPAC name of [(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea?
The IUPAC name of [(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea (CID 135851181) is [(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for [(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea?
The canonical SMILES for [(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea is CCOc1cc(/C=N/NC(N)=S)c(Br)c(Br)c1O.
What is the InChIKey of [(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea?
The InChIKey is ZYFVWOJQXXMNFW-LNKIKWGQSA-N. The full InChI is InChI=1S/C10H11Br2N3O2S/c1-2-17-6-3-5(4-14-15-10(13)18)7(11)8(12)9(6)16/h3-4,16H,2H2,1H3,(H3,13,15,18)/b14-4+.
What are the key properties of [(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea?
[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea has a molecular weight of 397.09 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 135851181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).