1-(2-hydroxyethyl)imidazolidine-2-thione;imidazolidine-2-thione

C8H16N4OS2 — CID 160823088

IUPAC1-(2-hydroxyethyl)imidazolidine-2-thione;imidazolidine-2-thione
SMILESOCCN1CCNC1=S.S=C1NCCN1
InChIInChI=1S/C5H10N2OS.C3H6N2S/c8-4-3-7-2-1-6-5(7)9;6-3-4-1-2-5-3/h8H,1-4H2,(H,6,9);1-2H2,(H2,4,5,6)
InChIKeySFUMQSGOGXCFQN-UHFFFAOYSA-N
MW248.38 g/mol
LogP-1.37
Rot. Bonds2

About 1-(2-hydroxyethyl)imidazolidine-2-thione;imidazolidine-2-thione

1-(2-hydroxyethyl)imidazolidine-2-thione;imidazolidine-2-thione (PubChem CID 160823088) has the molecular formula C8H16N4OS2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)imidazolidine-2-thione;imidazolidine-2-thione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)imidazolidine-2-thione;imidazolidine-2-thione
PubChem CID160823088
Molecular FormulaC8H16N4OS2
Molecular Weight248.38 g/mol
Exact Mass248.08
IUPAC Name1-(2-hydroxyethyl)imidazolidine-2-thione;imidazolidine-2-thione
SMILESOCCN1CCNC1=S.S=C1NCCN1
InChIInChI=1S/C5H10N2OS.C3H6N2S/c8-4-3-7-2-1-6-5(7)9;6-3-4-1-2-5-3/h8H,1-4H2,(H,6,9);1-2H2,(H2,4,5,6)
InChIKeySFUMQSGOGXCFQN-UHFFFAOYSA-N
XLogP-1.37
TPSA59.56 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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
2,5-Diazahexan-1,6-dithionic amide, 2-[2-hydroxyethyl]-N,N'-dimethyl-
CID 5377232
Imidazolidine;2-imidazolidin-1-ylethanol
CID 68621251
1,2-Di(imidazolidin-1-yl)ethanol
CID 68621254
Bis[1-(2-hydroxyethyl)imidazolidin-2-yl]methanethione
CID 176324069
1-(2-Hydroxyethyl)-2-imidazolidinethione-d4
CID 71749041

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)imidazolidine-2-thione;imidazolidine-2-thione?
The IUPAC name of 1-(2-hydroxyethyl)imidazolidine-2-thione;imidazolidine-2-thione (CID 160823088) is 1-(2-hydroxyethyl)imidazolidine-2-thione;imidazolidine-2-thione.
What is the SMILES notation for 1-(2-hydroxyethyl)imidazolidine-2-thione;imidazolidine-2-thione?
The canonical SMILES for 1-(2-hydroxyethyl)imidazolidine-2-thione;imidazolidine-2-thione is OCCN1CCNC1=S.S=C1NCCN1.
What is the InChIKey of 1-(2-hydroxyethyl)imidazolidine-2-thione;imidazolidine-2-thione?
The InChIKey is SFUMQSGOGXCFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS.C3H6N2S/c8-4-3-7-2-1-6-5(7)9;6-3-4-1-2-5-3/h8H,1-4H2,(H,6,9);1-2H2,(H2,4,5,6).
What are the key properties of 1-(2-hydroxyethyl)imidazolidine-2-thione;imidazolidine-2-thione?
1-(2-hydroxyethyl)imidazolidine-2-thione;imidazolidine-2-thione has a molecular weight of 248.38 g/mol, XLogP of -1.37, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)imidazolidine-2-thione;imidazolidine-2-thione is sourced from PubChem (CID 160823088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).