1-(benzenecarbonothioyl)-3-(2-hydroxyethyl)urea

C10H12N2O2S — CID 2214048

IUPAC1-(benzenecarbonothioyl)-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NC(=S)c1ccccc1
InChIInChI=1S/C10H12N2O2S/c13-7-6-11-10(14)12-9(15)8-4-2-1-3-5-8/h1-5,13H,6-7H2,(H2,11,12,14,15)
InChIKeyGCBCOXVQRYUUKP-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.65
Rot. Bonds3

About 1-(benzenecarbonothioyl)-3-(2-hydroxyethyl)urea

1-(benzenecarbonothioyl)-3-(2-hydroxyethyl)urea (PubChem CID 2214048) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is 1-(benzenecarbonothioyl)-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(benzenecarbonothioyl)-3-(2-hydroxyethyl)urea
PubChem CID2214048
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC Name1-(benzenecarbonothioyl)-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NC(=S)c1ccccc1
InChIInChI=1S/C10H12N2O2S/c13-7-6-11-10(14)12-9(15)8-4-2-1-3-5-8/h1-5,13H,6-7H2,(H2,11,12,14,15)
InChIKeyGCBCOXVQRYUUKP-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(benzenecarbonothioyl)-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-(benzenecarbonothioyl)-3-(2-hydroxyethyl)urea (CID 2214048) is 1-(benzenecarbonothioyl)-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(benzenecarbonothioyl)-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(benzenecarbonothioyl)-3-(2-hydroxyethyl)urea is O=C(NCCO)NC(=S)c1ccccc1.
What is the InChIKey of 1-(benzenecarbonothioyl)-3-(2-hydroxyethyl)urea?
The InChIKey is GCBCOXVQRYUUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c13-7-6-11-10(14)12-9(15)8-4-2-1-3-5-8/h1-5,13H,6-7H2,(H2,11,12,14,15).
What are the key properties of 1-(benzenecarbonothioyl)-3-(2-hydroxyethyl)urea?
1-(benzenecarbonothioyl)-3-(2-hydroxyethyl)urea has a molecular weight of 224.29 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenecarbonothioyl)-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 2214048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).