4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione

C10H10N4O2S2 — CID 9295245

IUPAC4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione
SMILESCOc1ccc(/C=N\n2c(=S)[nH][nH]c2=S)cc1O
InChIInChI=1S/C10H10N4O2S2/c1-16-8-3-2-6(4-7(8)15)5-11-14-9(17)12-13-10(14)18/h2-5,15H,1H3,(H,12,17)(H,13,18)/b11-5-
InChIKeyMNJZABCHURHQIC-WZUFQYTHSA-N
MW282.35 g/mol
LogP2.20
Rot. Bonds3

About 4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione

4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione (PubChem CID 9295245) has the molecular formula C10H10N4O2S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione.

Molecular Properties

Compound Name4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione
PubChem CID9295245
Molecular FormulaC10H10N4O2S2
Molecular Weight282.35 g/mol
Exact Mass282.02
IUPAC Name4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione
SMILESCOc1ccc(/C=N\n2c(=S)[nH][nH]c2=S)cc1O
InChIInChI=1S/C10H10N4O2S2/c1-16-8-3-2-6(4-7(8)15)5-11-14-9(17)12-13-10(14)18/h2-5,15H,1H3,(H,12,17)(H,13,18)/b11-5-
InChIKeyMNJZABCHURHQIC-WZUFQYTHSA-N
XLogP2.20
TPSA78.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione
CID 135739802
3-[(4-fluorophenyl)methyl]-4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 110520940
4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(oxolan-2-yl)-1H-1,2,4-triazole-5-thione
CID 110520624
[4-[(Z)-[3,5-bis(sulfanylidene)-1,2,4-triazolidin-4-yl]iminomethyl]-2-methoxyphenyl] pyridine-3-carboxylate
CID 9295306
2-methoxy-5-[(E)-morpholin-4-yliminomethyl]phenol
CID 6903171
3-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23883962
4-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-[1-[3-(2-methylpropyl)phenyl]ethyl]-1H-1,2,4-triazole-5-thione
CID 175247917
4-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 135632125
4-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-propyl-1H-1,2,4-triazole-5-thione
CID 135667229
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
3-benzylsulfanyl-4-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 135731467
4-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 5395869

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione?
The IUPAC name of 4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione (CID 9295245) is 4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione.
What is the SMILES notation for 4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione?
The canonical SMILES for 4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione is COc1ccc(/C=N\n2c(=S)[nH][nH]c2=S)cc1O.
What is the InChIKey of 4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione?
The InChIKey is MNJZABCHURHQIC-WZUFQYTHSA-N. The full InChI is InChI=1S/C10H10N4O2S2/c1-16-8-3-2-6(4-7(8)15)5-11-14-9(17)12-13-10(14)18/h2-5,15H,1H3,(H,12,17)(H,13,18)/b11-5-.
What are the key properties of 4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione?
4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione has a molecular weight of 282.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,2,4-triazolidine-3,5-dithione is sourced from PubChem (CID 9295245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).