1-(3-ethoxypropyl)-3-pentylthiourea

C11H24N2OS — CID 115570291

IUPAC1-(3-ethoxypropyl)-3-pentylthiourea
SMILESCCCCCNC(=S)NCCCOCC
InChIInChI=1S/C11H24N2OS/c1-3-5-6-8-12-11(15)13-9-7-10-14-4-2/h3-10H2,1-2H3,(H2,12,13,15)
InChIKeyYXZWXTVIPUOWOP-UHFFFAOYSA-N
MW232.39 g/mol
LogP2.07
Rot. Bonds9

About 1-(3-ethoxypropyl)-3-pentylthiourea

1-(3-ethoxypropyl)-3-pentylthiourea (PubChem CID 115570291) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-pentylthiourea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-pentylthiourea
PubChem CID115570291
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name1-(3-ethoxypropyl)-3-pentylthiourea
SMILESCCCCCNC(=S)NCCCOCC
InChIInChI=1S/C11H24N2OS/c1-3-5-6-8-12-11(15)13-9-7-10-14-4-2/h3-10H2,1-2H3,(H2,12,13,15)
InChIKeyYXZWXTVIPUOWOP-UHFFFAOYSA-N
XLogP2.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
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

1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115583597
1-butyl-3-heptylthiourea
CID 19650868
1-(2,2-difluoroethyl)-3-(3-ethoxypropyl)thiourea
CID 115667333
1-tert-butyl-3-(3-ethoxypropyl)thiourea
CID 43384731
2-(3-ethoxypropylcarbamothioylamino)ethyl carbamate
CID 116509852
1-(3-ethoxypropyl)-3-pentan-2-ylthiourea
CID 115570086
1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea
CID 115595164
1-(2-methoxyethyl)-3-nonylthiourea
CID 19651136
1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115595506
1-(2-cyclobutylethyl)-3-(3-ethoxypropyl)thiourea
CID 115687449
ethyl 2-(3-ethoxypropylcarbamothioylamino)acetate
CID 116507543
1-(3-ethoxypropyl)-3-(2-pyrrol-1-ylethyl)thiourea
CID 106390691

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-pentylthiourea?
The IUPAC name of 1-(3-ethoxypropyl)-3-pentylthiourea (CID 115570291) is 1-(3-ethoxypropyl)-3-pentylthiourea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-pentylthiourea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-pentylthiourea is CCCCCNC(=S)NCCCOCC.
What is the InChIKey of 1-(3-ethoxypropyl)-3-pentylthiourea?
The InChIKey is YXZWXTVIPUOWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-3-5-6-8-12-11(15)13-9-7-10-14-4-2/h3-10H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(3-ethoxypropyl)-3-pentylthiourea?
1-(3-ethoxypropyl)-3-pentylthiourea has a molecular weight of 232.39 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-pentylthiourea is sourced from PubChem (CID 115570291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).