1-butyl-3-(2-ethenoxyethyl)thiourea

C9H18N2OS — CID 14467739

IUPAC1-butyl-3-(2-ethenoxyethyl)thiourea
SMILESC=COCCNC(=S)NCCCC
InChIInChI=1S/C9H18N2OS/c1-3-5-6-10-9(13)11-7-8-12-4-2/h4H,2-3,5-8H2,1H3,(H2,10,11,13)
InChIKeyLMLCQNIJYUQCAD-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.41
Rot. Bonds7

About 1-butyl-3-(2-ethenoxyethyl)thiourea

1-butyl-3-(2-ethenoxyethyl)thiourea (PubChem CID 14467739) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-butyl-3-(2-ethenoxyethyl)thiourea.

Molecular Properties

Compound Name1-butyl-3-(2-ethenoxyethyl)thiourea
PubChem CID14467739
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name1-butyl-3-(2-ethenoxyethyl)thiourea
SMILESC=COCCNC(=S)NCCCC
InChIInChI=1S/C9H18N2OS/c1-3-5-6-10-9(13)11-7-8-12-4-2/h4H,2-3,5-8H2,1H3,(H2,10,11,13)
InChIKeyLMLCQNIJYUQCAD-UHFFFAOYSA-N
XLogP1.41
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-butyl-3-(2-ethenoxyethyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethenoxyethyl)-3-(3-triethylsilylpropyl)thiourea
CID 10828242
1-(2-methoxyethyl)-3-nonylthiourea
CID 19651136
1-butyl-3-(butylcarbamothioylamino)thiourea
CID 5386096
1-butyl-3-heptylthiourea
CID 19650868
2-(butylcarbamothioylamino)ethyl acetate
CID 176996768
1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115595506
1-butyl-3-(3-hydroxypropyl)thiourea
CID 127063787
1-oct-7-enyl-3-octylthiourea
CID 23466616
1-(2-butoxyethyl)-3-propylthiourea
CID 115595496
1-ethenoxybutane;hydrate
CID 174447139
1-(3-ethoxypropyl)-3-pentylthiourea
CID 115570291
1-(2-methoxyethyl)-3-prop-2-enylthiourea
CID 19652099

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-ethenoxyethyl)thiourea?
The IUPAC name of 1-butyl-3-(2-ethenoxyethyl)thiourea (CID 14467739) is 1-butyl-3-(2-ethenoxyethyl)thiourea.
What is the SMILES notation for 1-butyl-3-(2-ethenoxyethyl)thiourea?
The canonical SMILES for 1-butyl-3-(2-ethenoxyethyl)thiourea is C=COCCNC(=S)NCCCC.
What is the InChIKey of 1-butyl-3-(2-ethenoxyethyl)thiourea?
The InChIKey is LMLCQNIJYUQCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-3-5-6-10-9(13)11-7-8-12-4-2/h4H,2-3,5-8H2,1H3,(H2,10,11,13).
What are the key properties of 1-butyl-3-(2-ethenoxyethyl)thiourea?
1-butyl-3-(2-ethenoxyethyl)thiourea has a molecular weight of 202.32 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-ethenoxyethyl)thiourea is sourced from PubChem (CID 14467739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).