(4-acetylphenyl)thiourea

C9H10N2OS — CID 2735266

IUPAC(4-acetylphenyl)thiourea
SMILESCC(=O)c1ccc(NC(N)=S)cc1
InChIInChI=1S/C9H10N2OS/c1-6(12)7-2-4-8(5-3-7)11-9(10)13/h2-5H,1H3,(H3,10,11,13)
InChIKeyVVIUKYOXYSWCOF-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.54
Rot. Bonds2

About (4-acetylphenyl)thiourea

(4-acetylphenyl)thiourea (PubChem CID 2735266) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is (4-acetylphenyl)thiourea.

Molecular Properties

Compound Name(4-acetylphenyl)thiourea
PubChem CID2735266
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name(4-acetylphenyl)thiourea
SMILESCC(=O)c1ccc(NC(N)=S)cc1
InChIInChI=1S/C9H10N2OS/c1-6(12)7-2-4-8(5-3-7)11-9(10)13/h2-5H,1H3,(H3,10,11,13)
InChIKeyVVIUKYOXYSWCOF-UHFFFAOYSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl)thiourea?
The IUPAC name of (4-acetylphenyl)thiourea (CID 2735266) is (4-acetylphenyl)thiourea.
What is the SMILES notation for (4-acetylphenyl)thiourea?
The canonical SMILES for (4-acetylphenyl)thiourea is CC(=O)c1ccc(NC(N)=S)cc1.
What is the InChIKey of (4-acetylphenyl)thiourea?
The InChIKey is VVIUKYOXYSWCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-6(12)7-2-4-8(5-3-7)11-9(10)13/h2-5H,1H3,(H3,10,11,13).
What are the key properties of (4-acetylphenyl)thiourea?
(4-acetylphenyl)thiourea has a molecular weight of 194.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl)thiourea is sourced from PubChem (CID 2735266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).