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

C11H24N2O2S — CID 115595506

IUPAC1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea
SMILESCCCCOCCNC(=S)NCCCOC
InChIInChI=1S/C11H24N2O2S/c1-3-4-9-15-10-7-13-11(16)12-6-5-8-14-2/h3-10H2,1-2H3,(H2,12,13,16)
InChIKeyFKTVURBNFLHYNL-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.30
Rot. Bonds10

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

1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea (PubChem CID 115595506) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea.

Molecular Properties

Compound Name1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea
PubChem CID115595506
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea
SMILESCCCCOCCNC(=S)NCCCOC
InChIInChI=1S/C11H24N2O2S/c1-3-4-9-15-10-7-13-11(16)12-6-5-8-14-2/h3-10H2,1-2H3,(H2,12,13,16)
InChIKeyFKTVURBNFLHYNL-UHFFFAOYSA-N
XLogP1.30
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.30
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-ethoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115583597
1-(2-butoxyethyl)-3-propylthiourea
CID 115595496
1-(2-methoxyethyl)-3-nonylthiourea
CID 19651136
1-(3-ethoxypropyl)-3-pentylthiourea
CID 115570291
1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea
CID 103603991
1-methyl-3-[2-[3-(methylamino)propoxy]ethyl]thiourea
CID 174282056
1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea
CID 103721496
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
1-butoxy-4-methoxybutane
CID 13082830
1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496
1-(3-butoxypropyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 111240887
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea?
The IUPAC name of 1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea (CID 115595506) is 1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea.
What is the SMILES notation for 1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea?
The canonical SMILES for 1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea is CCCCOCCNC(=S)NCCCOC.
What is the InChIKey of 1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea?
The InChIKey is FKTVURBNFLHYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-4-9-15-10-7-13-11(16)12-6-5-8-14-2/h3-10H2,1-2H3,(H2,12,13,16).
What are the key properties of 1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea?
1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea has a molecular weight of 248.39 g/mol, XLogP of 1.30, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea is sourced from PubChem (CID 115595506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).