N-(phenylcarbamothioyl)acetamide

C9H10N2OS — CID 853886

IUPACN-(phenylcarbamothioyl)acetamide
SMILESCC(=O)NC(=S)Nc1ccccc1
InChIInChI=1S/C9H10N2OS/c1-7(12)10-9(13)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12,13)
InChIKeyDBOBDMZHSHKLSJ-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.52
Rot. Bonds1

About N-(phenylcarbamothioyl)acetamide

N-(phenylcarbamothioyl)acetamide (PubChem CID 853886) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is N-(phenylcarbamothioyl)acetamide.

Molecular Properties

Compound NameN-(phenylcarbamothioyl)acetamide
PubChem CID853886
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC NameN-(phenylcarbamothioyl)acetamide
SMILESCC(=O)NC(=S)Nc1ccccc1
InChIInChI=1S/C9H10N2OS/c1-7(12)10-9(13)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12,13)
InChIKeyDBOBDMZHSHKLSJ-UHFFFAOYSA-N
XLogP1.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.52
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 N-(phenylcarbamothioyl)acetamide?
The IUPAC name of N-(phenylcarbamothioyl)acetamide (CID 853886) is N-(phenylcarbamothioyl)acetamide.
What is the SMILES notation for N-(phenylcarbamothioyl)acetamide?
The canonical SMILES for N-(phenylcarbamothioyl)acetamide is CC(=O)NC(=S)Nc1ccccc1.
What is the InChIKey of N-(phenylcarbamothioyl)acetamide?
The InChIKey is DBOBDMZHSHKLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-7(12)10-9(13)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12,13).
What are the key properties of N-(phenylcarbamothioyl)acetamide?
N-(phenylcarbamothioyl)acetamide has a molecular weight of 194.26 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylcarbamothioyl)acetamide is sourced from PubChem (CID 853886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).