[2-(hydroxymethyl)phenyl]thiourea

C8H10N2OS — CID 46889267

IUPAC[2-(hydroxymethyl)phenyl]thiourea
SMILESNC(=S)Nc1ccccc1CO
InChIInChI=1S/C8H10N2OS/c9-8(12)10-7-4-2-1-3-6(7)5-11/h1-4,11H,5H2,(H3,9,10,12)
InChIKeyUIDSVORTRUIQAT-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.83
Rot. Bonds2

About [2-(hydroxymethyl)phenyl]thiourea

[2-(hydroxymethyl)phenyl]thiourea (PubChem CID 46889267) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is [2-(hydroxymethyl)phenyl]thiourea.

Molecular Properties

Compound Name[2-(hydroxymethyl)phenyl]thiourea
PubChem CID46889267
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name[2-(hydroxymethyl)phenyl]thiourea
SMILESNC(=S)Nc1ccccc1CO
InChIInChI=1S/C8H10N2OS/c9-8(12)10-7-4-2-1-3-6(7)5-11/h1-4,11H,5H2,(H3,9,10,12)
InChIKeyUIDSVORTRUIQAT-UHFFFAOYSA-N
XLogP0.83
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.83
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-(hydroxymethyl)phenyl]thiourea?
The IUPAC name of [2-(hydroxymethyl)phenyl]thiourea (CID 46889267) is [2-(hydroxymethyl)phenyl]thiourea.
What is the SMILES notation for [2-(hydroxymethyl)phenyl]thiourea?
The canonical SMILES for [2-(hydroxymethyl)phenyl]thiourea is NC(=S)Nc1ccccc1CO.
What is the InChIKey of [2-(hydroxymethyl)phenyl]thiourea?
The InChIKey is UIDSVORTRUIQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c9-8(12)10-7-4-2-1-3-6(7)5-11/h1-4,11H,5H2,(H3,9,10,12).
What are the key properties of [2-(hydroxymethyl)phenyl]thiourea?
[2-(hydroxymethyl)phenyl]thiourea has a molecular weight of 182.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)phenyl]thiourea is sourced from PubChem (CID 46889267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).