1-ethyl-3-(2-propan-2-ylphenyl)thiourea

C12H18N2S — CID 8626597

IUPAC1-ethyl-3-(2-propan-2-ylphenyl)thiourea
SMILESCCNC(=S)Nc1ccccc1C(C)C
InChIInChI=1S/C12H18N2S/c1-4-13-12(15)14-11-8-6-5-7-10(11)9(2)3/h5-9H,4H2,1-3H3,(H2,13,14,15)
InChIKeyPDVYKXMYUOHWRH-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.12
Rot. Bonds3

About 1-ethyl-3-(2-propan-2-ylphenyl)thiourea

1-ethyl-3-(2-propan-2-ylphenyl)thiourea (PubChem CID 8626597) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-ethyl-3-(2-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(2-propan-2-ylphenyl)thiourea
PubChem CID8626597
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name1-ethyl-3-(2-propan-2-ylphenyl)thiourea
SMILESCCNC(=S)Nc1ccccc1C(C)C
InChIInChI=1S/C12H18N2S/c1-4-13-12(15)14-11-8-6-5-7-10(11)9(2)3/h5-9H,4H2,1-3H3,(H2,13,14,15)
InChIKeyPDVYKXMYUOHWRH-UHFFFAOYSA-N
XLogP3.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.12
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-butan-2-yl-3-(2-propan-2-ylphenyl)thiourea
CID 43384666
1-(3-phenylpropyl)-3-(2-propan-2-ylphenyl)thiourea
CID 2444360
N-(2-propan-2-ylphenyl)ethanethioamide
CID 123184700
1-(4-butan-2-ylphenyl)-3-(2-propan-2-ylphenyl)thiourea
CID 17284164
1-(2,6-dimethylphenyl)-3-(2-propan-2-ylphenyl)thiourea
CID 2421699
3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]butanamide
CID 17094034
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
N-(2-propan-2-ylphenyl)propanamide
CID 723442
N-[(2-propan-2-ylphenyl)carbamothioyl]heptanamide
CID 54789169
1-(2,3-dimethylphenyl)-3-ethylthiourea
CID 4930198
1-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2-propan-2-ylphenyl)thiourea
CID 2447577
1-(4-iodo-2-methylphenyl)-3-(2-propan-2-ylphenyl)thiourea
CID 2444077

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-ethyl-3-(2-propan-2-ylphenyl)thiourea (CID 8626597) is 1-ethyl-3-(2-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-ethyl-3-(2-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-ethyl-3-(2-propan-2-ylphenyl)thiourea is CCNC(=S)Nc1ccccc1C(C)C.
What is the InChIKey of 1-ethyl-3-(2-propan-2-ylphenyl)thiourea?
The InChIKey is PDVYKXMYUOHWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-4-13-12(15)14-11-8-6-5-7-10(11)9(2)3/h5-9H,4H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-ethyl-3-(2-propan-2-ylphenyl)thiourea?
1-ethyl-3-(2-propan-2-ylphenyl)thiourea has a molecular weight of 222.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 8626597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).