(N-carbamothioyl-2-hydroxyanilino)urea

C8H10N4O2S — CID 57036254

IUPAC(N-carbamothioyl-2-hydroxyanilino)urea
SMILESNC(=O)NN(C(N)=S)c1ccccc1O
InChIInChI=1S/C8H10N4O2S/c9-7(14)11-12(8(10)15)5-3-1-2-4-6(5)13/h1-4,13H,(H2,10,15)(H3,9,11,14)
InChIKeyAYNLPUXGNUSKHP-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.03
Rot. Bonds1

About (N-carbamothioyl-2-hydroxyanilino)urea

(N-carbamothioyl-2-hydroxyanilino)urea (PubChem CID 57036254) has the molecular formula C8H10N4O2S and a molecular weight of 226.26 g/mol. Its IUPAC name is (N-carbamothioyl-2-hydroxyanilino)urea.

Molecular Properties

Compound Name(N-carbamothioyl-2-hydroxyanilino)urea
PubChem CID57036254
Molecular FormulaC8H10N4O2S
Molecular Weight226.26 g/mol
Exact Mass226.05
IUPAC Name(N-carbamothioyl-2-hydroxyanilino)urea
SMILESNC(=O)NN(C(N)=S)c1ccccc1O
InChIInChI=1S/C8H10N4O2S/c9-7(14)11-12(8(10)15)5-3-1-2-4-6(5)13/h1-4,13H,(H2,10,15)(H3,9,11,14)
InChIKeyAYNLPUXGNUSKHP-UHFFFAOYSA-N
XLogP0.03
TPSA104.61 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.03
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 (N-carbamothioyl-2-hydroxyanilino)urea?
The IUPAC name of (N-carbamothioyl-2-hydroxyanilino)urea (CID 57036254) is (N-carbamothioyl-2-hydroxyanilino)urea.
What is the SMILES notation for (N-carbamothioyl-2-hydroxyanilino)urea?
The canonical SMILES for (N-carbamothioyl-2-hydroxyanilino)urea is NC(=O)NN(C(N)=S)c1ccccc1O.
What is the InChIKey of (N-carbamothioyl-2-hydroxyanilino)urea?
The InChIKey is AYNLPUXGNUSKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S/c9-7(14)11-12(8(10)15)5-3-1-2-4-6(5)13/h1-4,13H,(H2,10,15)(H3,9,11,14).
What are the key properties of (N-carbamothioyl-2-hydroxyanilino)urea?
(N-carbamothioyl-2-hydroxyanilino)urea has a molecular weight of 226.26 g/mol, XLogP of 0.03, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (N-carbamothioyl-2-hydroxyanilino)urea is sourced from PubChem (CID 57036254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).