1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea

C11H24N2OS — CID 115570268

IUPAC1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea
SMILESCCCCN(CC)C(=S)NCCCOC
InChIInChI=1S/C11H24N2OS/c1-4-6-9-13(5-2)11(15)12-8-7-10-14-3/h4-10H2,1-3H3,(H,12,15)
InChIKeyQELICPODNXHURY-UHFFFAOYSA-N
MW232.39 g/mol
LogP2.02
Rot. Bonds8

About 1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea

1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea (PubChem CID 115570268) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea.

Molecular Properties

Compound Name1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea
PubChem CID115570268
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea
SMILESCCCCN(CC)C(=S)NCCCOC
InChIInChI=1S/C11H24N2OS/c1-4-6-9-13(5-2)11(15)12-8-7-10-14-3/h4-10H2,1-3H3,(H,12,15)
InChIKeyQELICPODNXHURY-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 52.02
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-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea
CID 102992244
1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea
CID 115587999
1-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea
CID 102992241
3-(3-methoxypropyl)-1-methyl-1-pentylthiourea
CID 116507373
3-butyl-1-(3-methoxypropyl)-1-methylthiourea
CID 115595156
1,1,3-trihexylthiourea
CID 19875506
1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea
CID 115579212
1-butyl-1-ethyl-3-(2-methylpropyl)thiourea
CID 115570265
1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea
CID 115618052
1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea
CID 103721496
3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115724
1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)-1-methylthiourea
CID 116508676

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea?
The IUPAC name of 1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea (CID 115570268) is 1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea.
What is the SMILES notation for 1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea?
The canonical SMILES for 1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea is CCCCN(CC)C(=S)NCCCOC.
What is the InChIKey of 1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea?
The InChIKey is QELICPODNXHURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-4-6-9-13(5-2)11(15)12-8-7-10-14-3/h4-10H2,1-3H3,(H,12,15).
What are the key properties of 1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea?
1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea has a molecular weight of 232.39 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea is sourced from PubChem (CID 115570268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).