N-(2-phenylethanethioyl)acetamide

C10H11NOS — CID 130016575

IUPACN-(2-phenylethanethioyl)acetamide
SMILESCC(=O)NC(=S)Cc1ccccc1
InChIInChI=1S/C10H11NOS/c1-8(12)11-10(13)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12,13)
InChIKeyPEYQJRREKOQVCE-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.69
Rot. Bonds2

About N-(2-phenylethanethioyl)acetamide

N-(2-phenylethanethioyl)acetamide (PubChem CID 130016575) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is N-(2-phenylethanethioyl)acetamide.

Molecular Properties

Compound NameN-(2-phenylethanethioyl)acetamide
PubChem CID130016575
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC NameN-(2-phenylethanethioyl)acetamide
SMILESCC(=O)NC(=S)Cc1ccccc1
InChIInChI=1S/C10H11NOS/c1-8(12)11-10(13)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12,13)
InChIKeyPEYQJRREKOQVCE-UHFFFAOYSA-N
XLogP1.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
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-(2-phenylethanethioyl)acetamide?
The IUPAC name of N-(2-phenylethanethioyl)acetamide (CID 130016575) is N-(2-phenylethanethioyl)acetamide.
What is the SMILES notation for N-(2-phenylethanethioyl)acetamide?
The canonical SMILES for N-(2-phenylethanethioyl)acetamide is CC(=O)NC(=S)Cc1ccccc1.
What is the InChIKey of N-(2-phenylethanethioyl)acetamide?
The InChIKey is PEYQJRREKOQVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-8(12)11-10(13)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12,13).
What are the key properties of N-(2-phenylethanethioyl)acetamide?
N-(2-phenylethanethioyl)acetamide has a molecular weight of 193.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethanethioyl)acetamide is sourced from PubChem (CID 130016575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).