N-(4-methylphenyl)ethanethioamide

C9H11NS — CID 718245

IUPACN-(4-methylphenyl)ethanethioamide
SMILESCC(=S)Nc1ccc(C)cc1
InChIInChI=1S/C9H11NS/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKeyRTCFUGQNYGWPQI-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.75
Rot. Bonds1

About N-(4-methylphenyl)ethanethioamide

N-(4-methylphenyl)ethanethioamide (PubChem CID 718245) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is N-(4-methylphenyl)ethanethioamide.

Molecular Properties

Compound NameN-(4-methylphenyl)ethanethioamide
PubChem CID718245
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC NameN-(4-methylphenyl)ethanethioamide
SMILESCC(=S)Nc1ccc(C)cc1
InChIInChI=1S/C9H11NS/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
InChIKeyRTCFUGQNYGWPQI-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl-p-toluidine
CID 7471
4-Methylacetanilide
CID 7684
N-(2-Methylphenyl)thiourea
CID 2787703
2,2,4-Trimethyl-1,2-dihydroquinoline
CID 8981
N-ethyl-3-methylaniline
CID 7603
4,4'-Dioctyldiphenylamine
CID 7569
N-(3-Methylphenyl)aniline
CID 14569
N-Phenylethanethioamide
CID 820777
2(1H)-Quinolinethione
CID 1800393
N-Phenyl-p-toluidine
CID 12109
Thiourea, (3-methylphenyl)-
CID 701727
Benzenamine, 4-methyl-N-(4-methylphenyl)-
CID 69293

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)ethanethioamide?
The IUPAC name of N-(4-methylphenyl)ethanethioamide (CID 718245) is N-(4-methylphenyl)ethanethioamide.
What is the SMILES notation for N-(4-methylphenyl)ethanethioamide?
The canonical SMILES for N-(4-methylphenyl)ethanethioamide is CC(=S)Nc1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)ethanethioamide?
The InChIKey is RTCFUGQNYGWPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11).
What are the key properties of N-(4-methylphenyl)ethanethioamide?
N-(4-methylphenyl)ethanethioamide has a molecular weight of 165.26 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)ethanethioamide is sourced from PubChem (CID 718245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).