[(E)-(3-hydroxyphenyl)methylideneamino]thiourea

C8H9N3OS — CID 6875532

IUPAC[(E)-(3-hydroxyphenyl)methylideneamino]thiourea
SMILESNC(=S)N/N=C/c1cccc(O)c1
InChIInChI=1S/C8H9N3OS/c9-8(13)11-10-5-6-2-1-3-7(12)4-6/h1-5,12H,(H3,9,11,13)/b10-5+
InChIKeyOUKYJMFNAHUPKE-BJMVGYQFSA-N
MW195.25 g/mol
LogP0.56
Rot. Bonds2

About [(E)-(3-hydroxyphenyl)methylideneamino]thiourea

[(E)-(3-hydroxyphenyl)methylideneamino]thiourea (PubChem CID 6875532) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is [(E)-(3-hydroxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-(3-hydroxyphenyl)methylideneamino]thiourea
PubChem CID6875532
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name[(E)-(3-hydroxyphenyl)methylideneamino]thiourea
SMILESNC(=S)N/N=C/c1cccc(O)c1
InChIInChI=1S/C8H9N3OS/c9-8(13)11-10-5-6-2-1-3-7(12)4-6/h1-5,12H,(H3,9,11,13)/b10-5+
InChIKeyOUKYJMFNAHUPKE-BJMVGYQFSA-N
XLogP0.56
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of [(E)-(3-hydroxyphenyl)methylideneamino]thiourea?
The IUPAC name of [(E)-(3-hydroxyphenyl)methylideneamino]thiourea (CID 6875532) is [(E)-(3-hydroxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for [(E)-(3-hydroxyphenyl)methylideneamino]thiourea?
The canonical SMILES for [(E)-(3-hydroxyphenyl)methylideneamino]thiourea is NC(=S)N/N=C/c1cccc(O)c1.
What is the InChIKey of [(E)-(3-hydroxyphenyl)methylideneamino]thiourea?
The InChIKey is OUKYJMFNAHUPKE-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H9N3OS/c9-8(13)11-10-5-6-2-1-3-7(12)4-6/h1-5,12H,(H3,9,11,13)/b10-5+.
What are the key properties of [(E)-(3-hydroxyphenyl)methylideneamino]thiourea?
[(E)-(3-hydroxyphenyl)methylideneamino]thiourea has a molecular weight of 195.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(3-hydroxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 6875532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).