1-methyl-3-(4-propan-2-yloxyphenyl)thiourea

C11H16N2OS — CID 59748887

IUPAC1-methyl-3-(4-propan-2-yloxyphenyl)thiourea
SMILESCNC(=S)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C11H16N2OS/c1-8(2)14-10-6-4-9(5-7-10)13-11(15)12-3/h4-8H,1-3H3,(H2,12,13,15)
InChIKeyIVOZGXYXPCXPAR-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.39
Rot. Bonds3

About 1-methyl-3-(4-propan-2-yloxyphenyl)thiourea

1-methyl-3-(4-propan-2-yloxyphenyl)thiourea (PubChem CID 59748887) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-methyl-3-(4-propan-2-yloxyphenyl)thiourea.

Molecular Properties

Compound Name1-methyl-3-(4-propan-2-yloxyphenyl)thiourea
PubChem CID59748887
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-methyl-3-(4-propan-2-yloxyphenyl)thiourea
SMILESCNC(=S)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C11H16N2OS/c1-8(2)14-10-6-4-9(5-7-10)13-11(15)12-3/h4-8H,1-3H3,(H2,12,13,15)
InChIKeyIVOZGXYXPCXPAR-UHFFFAOYSA-N
XLogP2.39
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-propan-2-yloxyphenyl)thiourea;hydrochloride
CID 139878067
1-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)thiourea
CID 133197037
3-[(4-propan-2-yloxyphenyl)carbamothioylamino]propanoic acid
CID 3008622
1-(4-propan-2-yloxyphenyl)-3-(pyridin-4-ylmethyl)thiourea
CID 58752930
N-methyl-4-propan-2-yloxyaniline
CID 18002910
N-[(4-methylphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 823882
1-[(2-methylphenyl)methyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100590551
4-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzamide
CID 4952176
1-[(2-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100606891
1-[3-(4-methoxyphenyl)propyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100677810
(2R)-2-hydroxy-N-(4-propan-2-yloxyphenyl)propanamide
CID 94684359
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-propan-2-yloxyphenyl)thiourea?
The IUPAC name of 1-methyl-3-(4-propan-2-yloxyphenyl)thiourea (CID 59748887) is 1-methyl-3-(4-propan-2-yloxyphenyl)thiourea.
What is the SMILES notation for 1-methyl-3-(4-propan-2-yloxyphenyl)thiourea?
The canonical SMILES for 1-methyl-3-(4-propan-2-yloxyphenyl)thiourea is CNC(=S)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of 1-methyl-3-(4-propan-2-yloxyphenyl)thiourea?
The InChIKey is IVOZGXYXPCXPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(2)14-10-6-4-9(5-7-10)13-11(15)12-3/h4-8H,1-3H3,(H2,12,13,15).
What are the key properties of 1-methyl-3-(4-propan-2-yloxyphenyl)thiourea?
1-methyl-3-(4-propan-2-yloxyphenyl)thiourea has a molecular weight of 224.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-propan-2-yloxyphenyl)thiourea is sourced from PubChem (CID 59748887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).