[(4-hydroxyphenyl)methylideneamino]thiourea

C8H9N3OS — CID 723238

IUPAC[(4-hydroxyphenyl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1ccc(O)cc1
InChIInChI=1S/C8H9N3OS/c9-8(13)11-10-5-6-1-3-7(12)4-2-6/h1-5,12H,(H3,9,11,13)
InChIKeyIKDRFCOUGSBGNI-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.56
Rot. Bonds2

About [(4-hydroxyphenyl)methylideneamino]thiourea

[(4-hydroxyphenyl)methylideneamino]thiourea (PubChem CID 723238) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is [(4-hydroxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(4-hydroxyphenyl)methylideneamino]thiourea
PubChem CID723238
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name[(4-hydroxyphenyl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1ccc(O)cc1
InChIInChI=1S/C8H9N3OS/c9-8(13)11-10-5-6-1-3-7(12)4-2-6/h1-5,12H,(H3,9,11,13)
InChIKeyIKDRFCOUGSBGNI-UHFFFAOYSA-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': '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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Frequently Asked Questions

What is the IUPAC name of [(4-hydroxyphenyl)methylideneamino]thiourea?
The IUPAC name of [(4-hydroxyphenyl)methylideneamino]thiourea (CID 723238) is [(4-hydroxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for [(4-hydroxyphenyl)methylideneamino]thiourea?
The canonical SMILES for [(4-hydroxyphenyl)methylideneamino]thiourea is NC(=S)NN=Cc1ccc(O)cc1.
What is the InChIKey of [(4-hydroxyphenyl)methylideneamino]thiourea?
The InChIKey is IKDRFCOUGSBGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c9-8(13)11-10-5-6-1-3-7(12)4-2-6/h1-5,12H,(H3,9,11,13).
What are the key properties of [(4-hydroxyphenyl)methylideneamino]thiourea?
[(4-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 [(4-hydroxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 723238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).