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

C10H14N2OS — CID 2731003

IUPAC1-benzyl-3-(2-hydroxyethyl)thiourea
SMILESOCCNC(=S)NCc1ccccc1
InChIInChI=1S/C10H14N2OS/c13-7-6-11-10(14)12-8-9-4-2-1-3-5-9/h1-5,13H,6-8H2,(H2,11,12,14)
InChIKeyHSEMXRYQVOHIOO-UHFFFAOYSA-N
MW210.30 g/mol
LogP0.64
Rot. Bonds4

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

1-benzyl-3-(2-hydroxyethyl)thiourea (PubChem CID 2731003) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-benzyl-3-(2-hydroxyethyl)thiourea.

Molecular Properties

Compound Name1-benzyl-3-(2-hydroxyethyl)thiourea
PubChem CID2731003
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-benzyl-3-(2-hydroxyethyl)thiourea
SMILESOCCNC(=S)NCc1ccccc1
InChIInChI=1S/C10H14N2OS/c13-7-6-11-10(14)12-8-9-4-2-1-3-5-9/h1-5,13H,6-8H2,(H2,11,12,14)
InChIKeyHSEMXRYQVOHIOO-UHFFFAOYSA-N
XLogP0.64
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 50.64
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 1-benzyl-3-(2-hydroxyethyl)thiourea?
The IUPAC name of 1-benzyl-3-(2-hydroxyethyl)thiourea (CID 2731003) is 1-benzyl-3-(2-hydroxyethyl)thiourea.
What is the SMILES notation for 1-benzyl-3-(2-hydroxyethyl)thiourea?
The canonical SMILES for 1-benzyl-3-(2-hydroxyethyl)thiourea is OCCNC(=S)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2-hydroxyethyl)thiourea?
The InChIKey is HSEMXRYQVOHIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c13-7-6-11-10(14)12-8-9-4-2-1-3-5-9/h1-5,13H,6-8H2,(H2,11,12,14).
What are the key properties of 1-benzyl-3-(2-hydroxyethyl)thiourea?
1-benzyl-3-(2-hydroxyethyl)thiourea has a molecular weight of 210.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-hydroxyethyl)thiourea is sourced from PubChem (CID 2731003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).