1-ethyl-3-(2-hydroxyethyl)thiourea

C5H12N2OS — CID 3281145

IUPAC1-ethyl-3-(2-hydroxyethyl)thiourea
SMILESCCNC(=S)NCCO
InChIInChI=1S/C5H12N2OS/c1-2-6-5(9)7-3-4-8/h8H,2-4H2,1H3,(H2,6,7,9)
InChIKeyFXTHEXIBLBGGRA-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.54
Rot. Bonds3

About 1-ethyl-3-(2-hydroxyethyl)thiourea

1-ethyl-3-(2-hydroxyethyl)thiourea (PubChem CID 3281145) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 1-ethyl-3-(2-hydroxyethyl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(2-hydroxyethyl)thiourea
PubChem CID3281145
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name1-ethyl-3-(2-hydroxyethyl)thiourea
SMILESCCNC(=S)NCCO
InChIInChI=1S/C5H12N2OS/c1-2-6-5(9)7-3-4-8/h8H,2-4H2,1H3,(H2,6,7,9)
InChIKeyFXTHEXIBLBGGRA-UHFFFAOYSA-N
XLogP-0.54
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-ethyl-3-(2-hydroxyethyl)thiourea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-hydroxyethyl)thiourea?
The IUPAC name of 1-ethyl-3-(2-hydroxyethyl)thiourea (CID 3281145) is 1-ethyl-3-(2-hydroxyethyl)thiourea.
What is the SMILES notation for 1-ethyl-3-(2-hydroxyethyl)thiourea?
The canonical SMILES for 1-ethyl-3-(2-hydroxyethyl)thiourea is CCNC(=S)NCCO.
What is the InChIKey of 1-ethyl-3-(2-hydroxyethyl)thiourea?
The InChIKey is FXTHEXIBLBGGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-2-6-5(9)7-3-4-8/h8H,2-4H2,1H3,(H2,6,7,9).
What are the key properties of 1-ethyl-3-(2-hydroxyethyl)thiourea?
1-ethyl-3-(2-hydroxyethyl)thiourea has a molecular weight of 148.23 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-hydroxyethyl)thiourea is sourced from PubChem (CID 3281145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).