2-hydroxyethylthiourea

C3H8N2OS — CID 3254090

IUPAC2-hydroxyethylthiourea
SMILESNC(=S)NCCO
InChIInChI=1S/C3H8N2OS/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)
InChIKeyIPSVDERFJPMANL-UHFFFAOYSA-N
MW120.18 g/mol
LogP-1.19
Rot. Bonds2

About 2-hydroxyethylthiourea

2-hydroxyethylthiourea (PubChem CID 3254090) has the molecular formula C3H8N2OS and a molecular weight of 120.18 g/mol. Its IUPAC name is 2-hydroxyethylthiourea.

Molecular Properties

Compound Name2-hydroxyethylthiourea
PubChem CID3254090
Molecular FormulaC3H8N2OS
Molecular Weight120.18 g/mol
Exact Mass120.04
IUPAC Name2-hydroxyethylthiourea
SMILESNC(=S)NCCO
InChIInChI=1S/C3H8N2OS/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)
InChIKeyIPSVDERFJPMANL-UHFFFAOYSA-N
XLogP-1.19
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.18
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethylthiourea?
The IUPAC name of 2-hydroxyethylthiourea (CID 3254090) is 2-hydroxyethylthiourea.
What is the SMILES notation for 2-hydroxyethylthiourea?
The canonical SMILES for 2-hydroxyethylthiourea is NC(=S)NCCO.
What is the InChIKey of 2-hydroxyethylthiourea?
The InChIKey is IPSVDERFJPMANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2OS/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7).
What are the key properties of 2-hydroxyethylthiourea?
2-hydroxyethylthiourea has a molecular weight of 120.18 g/mol, XLogP of -1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethylthiourea is sourced from PubChem (CID 3254090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).