1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea

C9H20N2O2S — CID 115583597

IUPAC1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea
SMILESCCOCCNC(=S)NCCCOC
InChIInChI=1S/C9H20N2O2S/c1-3-13-8-6-11-9(14)10-5-4-7-12-2/h3-8H2,1-2H3,(H2,10,11,14)
InChIKeyCKKPZTPTNQZBBM-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.52
Rot. Bonds8

About 1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea

1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea (PubChem CID 115583597) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea
PubChem CID115583597
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea
SMILESCCOCCNC(=S)NCCCOC
InChIInChI=1S/C9H20N2O2S/c1-3-13-8-6-11-9(14)10-5-4-7-12-2/h3-8H2,1-2H3,(H2,10,11,14)
InChIKeyCKKPZTPTNQZBBM-UHFFFAOYSA-N
XLogP0.52
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-butoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115595506
1-(3-ethoxypropyl)-3-pentylthiourea
CID 115570291
2-(3-ethoxypropylcarbamothioylamino)ethyl carbamate
CID 116509852
1-(2-methoxyethyl)-3-nonylthiourea
CID 19651136
1-(2,2-difluoroethyl)-3-(3-ethoxypropyl)thiourea
CID 115667333
1-(2,2-difluoroethyl)-3-(3-methoxypropyl)thiourea
CID 115667334
1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea
CID 19652817
1-tert-butyl-3-(3-ethoxypropyl)thiourea
CID 43384731
1-(3-methoxypropyl)-3-(3-methylsulfanylbutyl)thiourea
CID 115604044
1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea
CID 115595164
2-(2-ethoxyethylamino)-N-(3-methoxypropyl)acetamide
CID 61486039
1-[(2S)-butan-2-yl]-3-(3-methoxypropyl)thiourea
CID 40553594

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea?
The IUPAC name of 1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea (CID 115583597) is 1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea?
The canonical SMILES for 1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea is CCOCCNC(=S)NCCCOC.
What is the InChIKey of 1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea?
The InChIKey is CKKPZTPTNQZBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-13-8-6-11-9(14)10-5-4-7-12-2/h3-8H2,1-2H3,(H2,10,11,14).
What are the key properties of 1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea?
1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea has a molecular weight of 220.34 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea is sourced from PubChem (CID 115583597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).