N-(4-acetylphenyl)ethanethioamide;propane

C13H19NOS — CID 143275437

IUPACN-(4-acetylphenyl)ethanethioamide;propane
SMILESCC(=O)c1ccc(NC(C)=S)cc1.CCC
InChIInChI=1S/C10H11NOS.C3H8/c1-7(12)9-3-5-10(6-4-9)11-8(2)13;1-3-2/h3-6H,1-2H3,(H,11,13);3H2,1-2H3
InChIKeyQTABLPAYTLKFDP-UHFFFAOYSA-N
MW237.37 g/mol
LogP4.06
Rot. Bonds2

About N-(4-acetylphenyl)ethanethioamide;propane

N-(4-acetylphenyl)ethanethioamide;propane (PubChem CID 143275437) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(4-acetylphenyl)ethanethioamide;propane.

Molecular Properties

Compound NameN-(4-acetylphenyl)ethanethioamide;propane
PubChem CID143275437
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-(4-acetylphenyl)ethanethioamide;propane
SMILESCC(=O)c1ccc(NC(C)=S)cc1.CCC
InChIInChI=1S/C10H11NOS.C3H8/c1-7(12)9-3-5-10(6-4-9)11-8(2)13;1-3-2/h3-6H,1-2H3,(H,11,13);3H2,1-2H3
InChIKeyQTABLPAYTLKFDP-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(4-acetylphenyl)carbamate;propane
CID 177246404
3-(4-acetylphenyl)-1,1-diethylthiourea
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CID 3329908
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CID 22955653
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
1-(4-acetylphenyl)-3-(2-methylbutan-2-yl)thiourea
CID 17279719
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
N'-(4-acetylphenyl)-N-ethyloxamide
CID 108514755
3-(4-acetylphenyl)-1,1-dipentylthiourea
CID 19653315
1-(4-acetylphenyl)-3-(4-butoxyphenyl)thiourea
CID 95559277
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
N-(4-acetylphenyl)-2,2,4,4-tetramethylpentanamide
CID 143619432

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)ethanethioamide;propane?
The IUPAC name of N-(4-acetylphenyl)ethanethioamide;propane (CID 143275437) is N-(4-acetylphenyl)ethanethioamide;propane.
What is the SMILES notation for N-(4-acetylphenyl)ethanethioamide;propane?
The canonical SMILES for N-(4-acetylphenyl)ethanethioamide;propane is CC(=O)c1ccc(NC(C)=S)cc1.CCC.
What is the InChIKey of N-(4-acetylphenyl)ethanethioamide;propane?
The InChIKey is QTABLPAYTLKFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS.C3H8/c1-7(12)9-3-5-10(6-4-9)11-8(2)13;1-3-2/h3-6H,1-2H3,(H,11,13);3H2,1-2H3.
What are the key properties of N-(4-acetylphenyl)ethanethioamide;propane?
N-(4-acetylphenyl)ethanethioamide;propane has a molecular weight of 237.37 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)ethanethioamide;propane is sourced from PubChem (CID 143275437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).