3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea

C11H24N2OS — CID 115620797

IUPAC3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea
SMILESCCC(C)CN(C)C(=S)NCCCOC
InChIInChI=1S/C11H24N2OS/c1-5-10(2)9-13(3)11(15)12-7-6-8-14-4/h10H,5-9H2,1-4H3,(H,12,15)
InChIKeyFZEHWVBPZCWMCJ-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.88
Rot. Bonds7

About 3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea

3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea (PubChem CID 115620797) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea
PubChem CID115620797
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea
SMILESCCC(C)CN(C)C(=S)NCCCOC
InChIInChI=1S/C11H24N2OS/c1-5-10(2)9-13(3)11(15)12-7-6-8-14-4/h10H,5-9H2,1-4H3,(H,12,15)
InChIKeyFZEHWVBPZCWMCJ-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropyl)-1-methyl-1-pentylthiourea
CID 116507373
1-ethyl-3-(2-methoxyethyl)-1-(2-methylbutyl)thiourea
CID 115674479
1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea
CID 115579212
3-butyl-1-(3-methoxypropyl)-1-methylthiourea
CID 115595156
1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)-1-methylthiourea
CID 116508676
3-(3-methoxypropyl)-1-methyl-1-(2,2,2-trifluoroethyl)thiourea
CID 116507563
3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea
CID 97025387
1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea
CID 115587999
1-(3-methoxypropyl)-3-(4-methylhexan-2-yl)thiourea
CID 115662333
3-(3-methoxypropyl)-1-methyl-1-(4-methylsulfanylbutan-2-yl)thiourea
CID 115635674
1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea
CID 115570268
1-(1-cyclopropylethyl)-3-(3-methoxypropyl)-1-methylthiourea
CID 115577724

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea?
The IUPAC name of 3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea (CID 115620797) is 3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea.
What is the SMILES notation for 3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea?
The canonical SMILES for 3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea is CCC(C)CN(C)C(=S)NCCCOC.
What is the InChIKey of 3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea?
The InChIKey is FZEHWVBPZCWMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-5-10(2)9-13(3)11(15)12-7-6-8-14-4/h10H,5-9H2,1-4H3,(H,12,15).
What are the key properties of 3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea?
3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea has a molecular weight of 232.39 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea is sourced from PubChem (CID 115620797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).