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

C11H16N2OS — CID 2166227

IUPAC1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea
SMILESOCCNC(=S)NCCc1ccccc1
InChIInChI=1S/C11H16N2OS/c14-9-8-13-11(15)12-7-6-10-4-2-1-3-5-10/h1-5,14H,6-9H2,(H2,12,13,15)
InChIKeyZTGLIKOGAWPXQR-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.69
Rot. Bonds5

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

1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea (PubChem CID 2166227) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea
PubChem CID2166227
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea
SMILESOCCNC(=S)NCCc1ccccc1
InChIInChI=1S/C11H16N2OS/c14-9-8-13-11(15)12-7-6-10-4-2-1-3-5-10/h1-5,14H,6-9H2,(H2,12,13,15)
InChIKeyZTGLIKOGAWPXQR-UHFFFAOYSA-N
XLogP0.69
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxypropyl)-3-(2-phenylethyl)thiourea
CID 2171228
1-(2-phenylethyl)-3-[2-(2-sulfanylphenyl)ethyl]thiourea
CID 140842952
1-(2-phenylethyl)-3-(pyridin-4-ylmethyl)thiourea
CID 4968462
N-(2-phenylethyl)ethanethioamide
CID 58678856
1-cyclododecyl-3-(2-phenylethyl)thiourea
CID 17298455
N-(2-phenylethyl)benzenecarbothioamide
CID 708576
2-phenylethylcarbamothioylsulfanyl N-(2-phenylethyl)carbamodithioate
CID 154488014
sodium N-(2-phenylethyl)carbamodithioate
CID 23697126
1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 9283961
1-(cyclohexylmethyl)-3-(2-phenylethyl)thiourea
CID 23821003
1-(2-phenylethyl)-3-pyridin-4-ylthiourea
CID 19655618
1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea
CID 2298907

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea (CID 2166227) is 1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea is OCCNC(=S)NCCc1ccccc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea?
The InChIKey is ZTGLIKOGAWPXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-9-8-13-11(15)12-7-6-10-4-2-1-3-5-10/h1-5,14H,6-9H2,(H2,12,13,15).
What are the key properties of 1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea?
1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea has a molecular weight of 224.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 2166227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).