1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea

C10H22N2OS — CID 115618052

IUPAC1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea
SMILESCCCNC(=S)N(CC)CCOCC
InChIInChI=1S/C10H22N2OS/c1-4-7-11-10(14)12(5-2)8-9-13-6-3/h4-9H2,1-3H3,(H,11,14)
InChIKeyJMLGPIXYXBFYPA-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.63
Rot. Bonds7

About 1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea

1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea (PubChem CID 115618052) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea
PubChem CID115618052
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea
SMILESCCCNC(=S)N(CC)CCOCC
InChIInChI=1S/C10H22N2OS/c1-4-7-11-10(14)12(5-2)8-9-13-6-3/h4-9H2,1-3H3,(H,11,14)
InChIKeyJMLGPIXYXBFYPA-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.63
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

1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea
CID 115570268
sodium N-[2-(2-ethoxyethoxy)ethyl]-N-ethylcarbamodithioate
CID 102572468
1-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea
CID 102992241
1-butan-2-yl-3-(3-ethoxypropyl)-1-ethylthiourea
CID 116507368
1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea
CID 102992244
1-[2-(dimethylamino)ethyl]-1-methyl-3-propylthiourea
CID 116508663
1-ethyl-1,3-bis(3-methylbutyl)thiourea
CID 176585048
N-(2-ethoxyethyl)-N-ethyl-2-(methylamino)acetamide
CID 63691454
ethyl 2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]acetate
CID 55226927
N-(2-ethoxyethyl)-N-ethyl-6-(propylamino)pyridine-3-carboxamide
CID 63692575
1,1,3,3-tetrakis(2-ethoxyethyl)urea
CID 54341985
1-ethyl-1-propan-2-yl-3-propylthiourea
CID 116507324

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea?
The IUPAC name of 1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea (CID 115618052) is 1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea.
What is the SMILES notation for 1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea?
The canonical SMILES for 1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea is CCCNC(=S)N(CC)CCOCC.
What is the InChIKey of 1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea?
The InChIKey is JMLGPIXYXBFYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-4-7-11-10(14)12(5-2)8-9-13-6-3/h4-9H2,1-3H3,(H,11,14).
What are the key properties of 1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea?
1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea has a molecular weight of 218.37 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea is sourced from PubChem (CID 115618052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).