1-(2,3-dimethylphenyl)-3-ethylthiourea

C11H16N2S — CID 4930198

IUPAC1-(2,3-dimethylphenyl)-3-ethylthiourea
SMILESCCNC(=S)Nc1cccc(C)c1C
InChIInChI=1S/C11H16N2S/c1-4-12-11(14)13-10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3,(H2,12,13,14)
InChIKeyZVWYQMJOAIUKDS-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.61
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-3-ethylthiourea

1-(2,3-dimethylphenyl)-3-ethylthiourea (PubChem CID 4930198) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-ethylthiourea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-ethylthiourea
PubChem CID4930198
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name1-(2,3-dimethylphenyl)-3-ethylthiourea
SMILESCCNC(=S)Nc1cccc(C)c1C
InChIInChI=1S/C11H16N2S/c1-4-12-11(14)13-10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3,(H2,12,13,14)
InChIKeyZVWYQMJOAIUKDS-UHFFFAOYSA-N
XLogP2.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylphenyl)-3-(ethylcarbamothioylamino)thiourea
CID 7941891
1-benzyl-3-(2,3-dimethylphenyl)thiourea
CID 799294
1-(2,2-diethoxyethyl)-3-(2,3-dimethylphenyl)thiourea
CID 4844611
1-[(2S)-butan-2-yl]-3-(2,3-dimethylphenyl)thiourea
CID 8619676
1-(2,3-dimethylphenyl)-3-(2-hydroxy-2-phenylethyl)thiourea
CID 4160327
1-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(2,3-dimethylphenyl)thiourea
CID 8656397
1-(2,3-dimethylphenyl)-3-(heptan-4-ylideneamino)thiourea
CID 18206200
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-(2,3-dimethylphenyl)thiourea
CID 8681645
1-(4-bromo-2-ethylphenyl)-3-(2,3-dimethylphenyl)thiourea
CID 19687710
1-(2-bromo-3-chlorophenyl)-3-ethylthiourea
CID 103478742
[(1S)-1-(2-chlorophenyl)-2-[(2,3-dimethylphenyl)carbamothioylamino]ethyl]-dimethylazanium
CID 8658749
1-ethyl-3-(2-propan-2-ylphenyl)thiourea
CID 8626597

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-ethylthiourea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-ethylthiourea (CID 4930198) is 1-(2,3-dimethylphenyl)-3-ethylthiourea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-ethylthiourea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-ethylthiourea is CCNC(=S)Nc1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-ethylthiourea?
The InChIKey is ZVWYQMJOAIUKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-4-12-11(14)13-10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-(2,3-dimethylphenyl)-3-ethylthiourea?
1-(2,3-dimethylphenyl)-3-ethylthiourea has a molecular weight of 208.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-ethylthiourea is sourced from PubChem (CID 4930198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).