N-(2-propan-2-ylphenyl)ethanethioamide

C11H15NS — CID 123184700

IUPACN-(2-propan-2-ylphenyl)ethanethioamide
SMILESCC(=S)Nc1ccccc1C(C)C
InChIInChI=1S/C11H15NS/c1-8(2)10-6-4-5-7-11(10)12-9(3)13/h4-8H,1-3H3,(H,12,13)
InChIKeyBMRIHRMNSZHBBR-UHFFFAOYSA-N
MW193.31 g/mol
LogP3.57
Rot. Bonds2

About N-(2-propan-2-ylphenyl)ethanethioamide

N-(2-propan-2-ylphenyl)ethanethioamide (PubChem CID 123184700) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)ethanethioamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)ethanethioamide
PubChem CID123184700
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC NameN-(2-propan-2-ylphenyl)ethanethioamide
SMILESCC(=S)Nc1ccccc1C(C)C
InChIInChI=1S/C11H15NS/c1-8(2)10-6-4-5-7-11(10)12-9(3)13/h4-8H,1-3H3,(H,12,13)
InChIKeyBMRIHRMNSZHBBR-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.57
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

1-ethyl-3-(2-propan-2-ylphenyl)thiourea
CID 8626597
1-butan-2-yl-3-(2-propan-2-ylphenyl)thiourea
CID 43384666
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
1-(2,6-dimethylphenyl)-3-(2-propan-2-ylphenyl)thiourea
CID 2421699
4-methyl-N-(2-propan-2-ylphenyl)piperazine-1-carbothioamide
CID 43384653
N'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide
CID 8007615
methoxyethane;N-(2-propan-2-ylphenyl)acetamide
CID 161222349
N-(2-propan-2-ylphenyl)propanamide
CID 723442
N-(2-propan-2-ylphenyl)benzamide
CID 723391
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]butanamide
CID 17094034

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)ethanethioamide?
The IUPAC name of N-(2-propan-2-ylphenyl)ethanethioamide (CID 123184700) is N-(2-propan-2-ylphenyl)ethanethioamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)ethanethioamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)ethanethioamide is CC(=S)Nc1ccccc1C(C)C.
What is the InChIKey of N-(2-propan-2-ylphenyl)ethanethioamide?
The InChIKey is BMRIHRMNSZHBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-8(2)10-6-4-5-7-11(10)12-9(3)13/h4-8H,1-3H3,(H,12,13).
What are the key properties of N-(2-propan-2-ylphenyl)ethanethioamide?
N-(2-propan-2-ylphenyl)ethanethioamide has a molecular weight of 193.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)ethanethioamide is sourced from PubChem (CID 123184700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).