1-(hydroxymethyl)imidazolidine-2-thione

C4H8N2OS — CID 19902386

IUPAC1-(hydroxymethyl)imidazolidine-2-thione
SMILESOCN1CCNC1=S
InChIInChI=1S/C4H8N2OS/c7-3-6-2-1-5-4(6)8/h7H,1-3H2,(H,5,8)
InChIKeyADJSGLFJPHMMBH-UHFFFAOYSA-N
MW132.19 g/mol
LogP-0.87
Rot. Bonds1

About 1-(hydroxymethyl)imidazolidine-2-thione

1-(hydroxymethyl)imidazolidine-2-thione (PubChem CID 19902386) has the molecular formula C4H8N2OS and a molecular weight of 132.19 g/mol. Its IUPAC name is 1-(hydroxymethyl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-(hydroxymethyl)imidazolidine-2-thione
PubChem CID19902386
Molecular FormulaC4H8N2OS
Molecular Weight132.19 g/mol
Exact Mass132.04
IUPAC Name1-(hydroxymethyl)imidazolidine-2-thione
SMILESOCN1CCNC1=S
InChIInChI=1S/C4H8N2OS/c7-3-6-2-1-5-4(6)8/h7H,1-3H2,(H,5,8)
InChIKeyADJSGLFJPHMMBH-UHFFFAOYSA-N
XLogP-0.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Imidazolidinethione, 1-(2-hydroxyethyl)-
CID 2801741
1-Imidazolidinemethanol
CID 23403401
Imidazoline-2-thione monohydrate
CID 129660567
Imidazolidine-2-thione;methoxymethane
CID 23619286
1-(1-Hydroxyethyl)imidazolidine-2-thione
CID 89249012
4-Hydroxy-1-methylimidazolidine-2-thione
CID 134334108
1-(Hydroxymethyl)imidazolidine-2-carbothialdehyde
CID 175391747
1-[(2-Hydroxyethylamino)methyl]-3-(hydroxymethyl)imidazolidine-2-thione
CID 3275496
2-Hydroxyethyl-[[3-(hydroxymethyl)-2-sulfanylideneimidazolidin-1-yl]methyl]azanium
CID 7713751
1-(2-Hydroxyethyl)-2-imidazolidinethione-d4
CID 71749041

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)imidazolidine-2-thione?
The IUPAC name of 1-(hydroxymethyl)imidazolidine-2-thione (CID 19902386) is 1-(hydroxymethyl)imidazolidine-2-thione.
What is the SMILES notation for 1-(hydroxymethyl)imidazolidine-2-thione?
The canonical SMILES for 1-(hydroxymethyl)imidazolidine-2-thione is OCN1CCNC1=S.
What is the InChIKey of 1-(hydroxymethyl)imidazolidine-2-thione?
The InChIKey is ADJSGLFJPHMMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2OS/c7-3-6-2-1-5-4(6)8/h7H,1-3H2,(H,5,8).
What are the key properties of 1-(hydroxymethyl)imidazolidine-2-thione?
1-(hydroxymethyl)imidazolidine-2-thione has a molecular weight of 132.19 g/mol, XLogP of -0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)imidazolidine-2-thione is sourced from PubChem (CID 19902386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).