4,5-dihydroxy-1-phenylimidazolidine-2-thione

C9H10N2O2S — CID 2771896

IUPAC4,5-dihydroxy-1-phenylimidazolidine-2-thione
SMILESOC1NC(=S)N(c2ccccc2)C1O
InChIInChI=1S/C9H10N2O2S/c12-7-8(13)11(9(14)10-7)6-4-2-1-3-5-6/h1-5,7-8,12-13H,(H,10,14)
InChIKeyFIQRVISCOFLUSO-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.02
Rot. Bonds1

About 4,5-dihydroxy-1-phenylimidazolidine-2-thione

4,5-dihydroxy-1-phenylimidazolidine-2-thione (PubChem CID 2771896) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 4,5-dihydroxy-1-phenylimidazolidine-2-thione.

Molecular Properties

Compound Name4,5-dihydroxy-1-phenylimidazolidine-2-thione
PubChem CID2771896
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name4,5-dihydroxy-1-phenylimidazolidine-2-thione
SMILESOC1NC(=S)N(c2ccccc2)C1O
InChIInChI=1S/C9H10N2O2S/c12-7-8(13)11(9(14)10-7)6-4-2-1-3-5-6/h1-5,7-8,12-13H,(H,10,14)
InChIKeyFIQRVISCOFLUSO-UHFFFAOYSA-N
XLogP0.02
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-(Morpholin-4-yl)ethyl)-N-phenylcarbamimidothioic acid
CID 722642
1-(2-Methoxy-ethyl)-1H-benzoimidazole-2-thiol
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N-(2-Hydroxypropyl)-N'-phenylthiourea
CID 2759335
1-(2-Hydroxyethyl)-3-phenyl-2-thiourea
CID 1549562
2-{4-[(Phenylamino)thioxomethyl]piperazinyl}ethan-1-ol
CID 785529
4-[2-(2-hydroxyethoxy)ethyl]-N-phenylpiperazine-1-carbothioamide
CID 3119956
3-(2-Methoxyethyl)-1-phenyl-1-propan-2-ylthiourea
CID 5176938
[Bis(2-methoxyethyl)amino](phenylamino)methane-1-thione
CID 2327067
4-(1-hydroxy-2-methylpropan-2-yl)-N-phenylpiperazine-1-carbothioamide
CID 3246314
3-Phenyl-2-thioxo-1,3-diazaperhydroin-4-ol
CID 3136579
1,1-Bis-(2-hydroxy-ethyl)-3-phenyl-thiourea
CID 854197
5-(Hydroxymethyl)-3-phenyl-2-thioxoimidazolidin-4-one
CID 3034588

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-1-phenylimidazolidine-2-thione?
The IUPAC name of 4,5-dihydroxy-1-phenylimidazolidine-2-thione (CID 2771896) is 4,5-dihydroxy-1-phenylimidazolidine-2-thione.
What is the SMILES notation for 4,5-dihydroxy-1-phenylimidazolidine-2-thione?
The canonical SMILES for 4,5-dihydroxy-1-phenylimidazolidine-2-thione is OC1NC(=S)N(c2ccccc2)C1O.
What is the InChIKey of 4,5-dihydroxy-1-phenylimidazolidine-2-thione?
The InChIKey is FIQRVISCOFLUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c12-7-8(13)11(9(14)10-7)6-4-2-1-3-5-6/h1-5,7-8,12-13H,(H,10,14).
What are the key properties of 4,5-dihydroxy-1-phenylimidazolidine-2-thione?
4,5-dihydroxy-1-phenylimidazolidine-2-thione has a molecular weight of 210.26 g/mol, XLogP of 0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-1-phenylimidazolidine-2-thione is sourced from PubChem (CID 2771896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).