2-(2-ethyl-6-methylphenyl)ethanethioamide

C11H15NS — CID 149269494

IUPAC2-(2-ethyl-6-methylphenyl)ethanethioamide
SMILESCCc1cccc(C)c1CC(N)=S
InChIInChI=1S/C11H15NS/c1-3-9-6-4-5-8(2)10(9)7-11(12)13/h4-6H,3,7H2,1-2H3,(H2,12,13)
InChIKeyXQTZZINDPMUHFT-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.39
Rot. Bonds3

About 2-(2-ethyl-6-methylphenyl)ethanethioamide

2-(2-ethyl-6-methylphenyl)ethanethioamide (PubChem CID 149269494) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylphenyl)ethanethioamide.

Molecular Properties

Compound Name2-(2-ethyl-6-methylphenyl)ethanethioamide
PubChem CID149269494
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name2-(2-ethyl-6-methylphenyl)ethanethioamide
SMILESCCc1cccc(C)c1CC(N)=S
InChIInChI=1S/C11H15NS/c1-3-9-6-4-5-8(2)10(9)7-11(12)13/h4-6H,3,7H2,1-2H3,(H2,12,13)
InChIKeyXQTZZINDPMUHFT-UHFFFAOYSA-N
XLogP2.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.39
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

(2-ethyl-6-methylphenyl)methanol
CID 52987948
(2-ethyl-6-methylphenyl)methylphosphanium bromide
CID 68944646
(2-ethyl-6-methylphenyl)methylphosphane
CID 68944647
1-amino-1-(2-ethyl-6-methylphenyl)thiourea
CID 20849979
2,3-diethylbenzamide;hydrofluoride
CID 175203586
3-(2-ethyl-6-methylphenyl)propanoic acid
CID 82158159
2-(2,6-dimethylanilino)-3-ethylbenzamide
CID 21484509
methyl N'-(2-ethyl-6-methylphenyl)carbamimidothioate
CID 45094873
1-(2-ethyl-6-methylphenyl)-1-(2,4,6-trimethylphenyl)thiourea
CID 175345142
2-(2,3,5,6-tetramethylphenyl)ethanethioamide
CID 83969576
3-amino-N-(2,6-diethylphenyl)-3-sulfanylidenepropanamide
CID 28942377
carbamic acid;2,3-diethylphenol;methanamine
CID 174684713

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylphenyl)ethanethioamide?
The IUPAC name of 2-(2-ethyl-6-methylphenyl)ethanethioamide (CID 149269494) is 2-(2-ethyl-6-methylphenyl)ethanethioamide.
What is the SMILES notation for 2-(2-ethyl-6-methylphenyl)ethanethioamide?
The canonical SMILES for 2-(2-ethyl-6-methylphenyl)ethanethioamide is CCc1cccc(C)c1CC(N)=S.
What is the InChIKey of 2-(2-ethyl-6-methylphenyl)ethanethioamide?
The InChIKey is XQTZZINDPMUHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-3-9-6-4-5-8(2)10(9)7-11(12)13/h4-6H,3,7H2,1-2H3,(H2,12,13).
What are the key properties of 2-(2-ethyl-6-methylphenyl)ethanethioamide?
2-(2-ethyl-6-methylphenyl)ethanethioamide has a molecular weight of 193.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylphenyl)ethanethioamide is sourced from PubChem (CID 149269494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).