1-hydroxyethylthiourea

C3H8N2OS — CID 18621685

IUPAC1-hydroxyethylthiourea
SMILESCC(O)NC(N)=S
InChIInChI=1S/C3H8N2OS/c1-2(6)5-3(4)7/h2,6H,1H3,(H3,4,5,7)
InChIKeyYVNRKXUWXHWAIH-UHFFFAOYSA-N
MW120.18 g/mol
LogP-0.84
Rot. Bonds1

About 1-hydroxyethylthiourea

1-hydroxyethylthiourea (PubChem CID 18621685) has the molecular formula C3H8N2OS and a molecular weight of 120.18 g/mol. Its IUPAC name is 1-hydroxyethylthiourea.

Molecular Properties

Compound Name1-hydroxyethylthiourea
PubChem CID18621685
Molecular FormulaC3H8N2OS
Molecular Weight120.18 g/mol
Exact Mass120.04
IUPAC Name1-hydroxyethylthiourea
SMILESCC(O)NC(N)=S
InChIInChI=1S/C3H8N2OS/c1-2(6)5-3(4)7/h2,6H,1H3,(H3,4,5,7)
InChIKeyYVNRKXUWXHWAIH-UHFFFAOYSA-N
XLogP-0.84
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.18
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-hydroxyethylthiourea 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-hydroxyethylthiourea?
The IUPAC name of 1-hydroxyethylthiourea (CID 18621685) is 1-hydroxyethylthiourea.
What is the SMILES notation for 1-hydroxyethylthiourea?
The canonical SMILES for 1-hydroxyethylthiourea is CC(O)NC(N)=S.
What is the InChIKey of 1-hydroxyethylthiourea?
The InChIKey is YVNRKXUWXHWAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2OS/c1-2(6)5-3(4)7/h2,6H,1H3,(H3,4,5,7).
What are the key properties of 1-hydroxyethylthiourea?
1-hydroxyethylthiourea has a molecular weight of 120.18 g/mol, XLogP of -0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethylthiourea is sourced from PubChem (CID 18621685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).