(4-hydroxyphenyl)thiourea

C7H8N2OS — CID 2759331

IUPAC(4-hydroxyphenyl)thiourea
SMILESNC(=S)Nc1ccc(O)cc1
InChIInChI=1S/C7H8N2OS/c8-7(11)9-5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9,11)
InChIKeyQICKOOCQSYZYQB-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.05
Rot. Bonds1

About (4-hydroxyphenyl)thiourea

(4-hydroxyphenyl)thiourea (PubChem CID 2759331) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is (4-hydroxyphenyl)thiourea.

Molecular Properties

Compound Name(4-hydroxyphenyl)thiourea
PubChem CID2759331
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name(4-hydroxyphenyl)thiourea
SMILESNC(=S)Nc1ccc(O)cc1
InChIInChI=1S/C7H8N2OS/c8-7(11)9-5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9,11)
InChIKeyQICKOOCQSYZYQB-UHFFFAOYSA-N
XLogP1.05
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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)thiourea?
The IUPAC name of (4-hydroxyphenyl)thiourea (CID 2759331) is (4-hydroxyphenyl)thiourea.
What is the SMILES notation for (4-hydroxyphenyl)thiourea?
The canonical SMILES for (4-hydroxyphenyl)thiourea is NC(=S)Nc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl)thiourea?
The InChIKey is QICKOOCQSYZYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c8-7(11)9-5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9,11).
What are the key properties of (4-hydroxyphenyl)thiourea?
(4-hydroxyphenyl)thiourea has a molecular weight of 168.22 g/mol, XLogP of 1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)thiourea is sourced from PubChem (CID 2759331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).