5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione

C10H10N2O2S2 — CID 4019771

IUPAC5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione
SMILESCOc1cc(C2NC(=S)NC2=S)ccc1O
InChIInChI=1S/C10H10N2O2S2/c1-14-7-4-5(2-3-6(7)13)8-9(15)12-10(16)11-8/h2-4,8,13H,1H3,(H2,11,12,15,16)
InChIKeyXVLIBSZUZJINOJ-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.25
Rot. Bonds2

About 5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione

5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione (PubChem CID 4019771) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione.

Molecular Properties

Compound Name5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione
PubChem CID4019771
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione
SMILESCOc1cc(C2NC(=S)NC2=S)ccc1O
InChIInChI=1S/C10H10N2O2S2/c1-14-7-4-5(2-3-6(7)13)8-9(15)12-10(16)11-8/h2-4,8,13H,1H3,(H2,11,12,15,16)
InChIKeyXVLIBSZUZJINOJ-UHFFFAOYSA-N
XLogP1.25
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 744158
(5R)-5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dione
CID 699519
N-(3,4-difluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2908206
2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one
CID 100938571
(4R)-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 777354
(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one
CID 7236369
2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid
CID 11429153
7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone
CID 22331027
(4S)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129373304
4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol
CID 58785260
2-methoxy-4-(oxolan-2-yl)phenol
CID 70616633
2-methoxy-4-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
CID 21119678

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione?
The IUPAC name of 5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione (CID 4019771) is 5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione.
What is the SMILES notation for 5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione?
The canonical SMILES for 5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione is COc1cc(C2NC(=S)NC2=S)ccc1O.
What is the InChIKey of 5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione?
The InChIKey is XVLIBSZUZJINOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-14-7-4-5(2-3-6(7)13)8-9(15)12-10(16)11-8/h2-4,8,13H,1H3,(H2,11,12,15,16).
What are the key properties of 5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione?
5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione has a molecular weight of 254.34 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dithione is sourced from PubChem (CID 4019771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).