[(2-hydroxybenzoyl)amino]thiourea

C8H9N3O2S — CID 13087489

IUPAC[(2-hydroxybenzoyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1ccccc1O
InChIInChI=1S/C8H9N3O2S/c9-8(14)11-10-7(13)5-3-1-2-4-6(5)12/h1-4,12H,(H,10,13)(H3,9,11,14)
InChIKeyPYBNVGODXBNGMG-UHFFFAOYSA-N
MW211.25 g/mol
LogP-0.13
Rot. Bonds1

About [(2-hydroxybenzoyl)amino]thiourea

[(2-hydroxybenzoyl)amino]thiourea (PubChem CID 13087489) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is [(2-hydroxybenzoyl)amino]thiourea.

Molecular Properties

Compound Name[(2-hydroxybenzoyl)amino]thiourea
PubChem CID13087489
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name[(2-hydroxybenzoyl)amino]thiourea
SMILESNC(=S)NNC(=O)c1ccccc1O
InChIInChI=1S/C8H9N3O2S/c9-8(14)11-10-7(13)5-3-1-2-4-6(5)12/h1-4,12H,(H,10,13)(H3,9,11,14)
InChIKeyPYBNVGODXBNGMG-UHFFFAOYSA-N
XLogP-0.13
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [(2-hydroxybenzoyl)amino]thiourea?
The IUPAC name of [(2-hydroxybenzoyl)amino]thiourea (CID 13087489) is [(2-hydroxybenzoyl)amino]thiourea.
What is the SMILES notation for [(2-hydroxybenzoyl)amino]thiourea?
The canonical SMILES for [(2-hydroxybenzoyl)amino]thiourea is NC(=S)NNC(=O)c1ccccc1O.
What is the InChIKey of [(2-hydroxybenzoyl)amino]thiourea?
The InChIKey is PYBNVGODXBNGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c9-8(14)11-10-7(13)5-3-1-2-4-6(5)12/h1-4,12H,(H,10,13)(H3,9,11,14).
What are the key properties of [(2-hydroxybenzoyl)amino]thiourea?
[(2-hydroxybenzoyl)amino]thiourea has a molecular weight of 211.25 g/mol, XLogP of -0.13, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-hydroxybenzoyl)amino]thiourea is sourced from PubChem (CID 13087489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).