(2-hydroxyphenyl)thiourea

C7H8N2OS — CID 3003569

IUPAC(2-hydroxyphenyl)thiourea
SMILESNC(=S)Nc1ccccc1O
InChIInChI=1S/C7H8N2OS/c8-7(11)9-5-3-1-2-4-6(5)10/h1-4,10H,(H3,8,9,11)
InChIKeyVYBCFZXLXJUFPM-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.05
Rot. Bonds1

About (2-hydroxyphenyl)thiourea

(2-hydroxyphenyl)thiourea (PubChem CID 3003569) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is (2-hydroxyphenyl)thiourea.

Molecular Properties

Compound Name(2-hydroxyphenyl)thiourea
PubChem CID3003569
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name(2-hydroxyphenyl)thiourea
SMILESNC(=S)Nc1ccccc1O
InChIInChI=1S/C7H8N2OS/c8-7(11)9-5-3-1-2-4-6(5)10/h1-4,10H,(H3,8,9,11)
InChIKeyVYBCFZXLXJUFPM-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': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)thiourea?
The IUPAC name of (2-hydroxyphenyl)thiourea (CID 3003569) is (2-hydroxyphenyl)thiourea.
What is the SMILES notation for (2-hydroxyphenyl)thiourea?
The canonical SMILES for (2-hydroxyphenyl)thiourea is NC(=S)Nc1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)thiourea?
The InChIKey is VYBCFZXLXJUFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c8-7(11)9-5-3-1-2-4-6(5)10/h1-4,10H,(H3,8,9,11).
What are the key properties of (2-hydroxyphenyl)thiourea?
(2-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 (2-hydroxyphenyl)thiourea is sourced from PubChem (CID 3003569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).