4-hydroxy-3-[3-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4-methyl-1,3-thiazolidine-2-thione

C18H24N2O2S4 — CID 10574576

IUPAC4-hydroxy-3-[3-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4-methyl-1,3-thiazolidine-2-thione
SMILESCc1c(C)c(N2C(=S)SCC2(C)O)c(C)c(N2C(=S)SCC2(C)O)c1C
InChIInChI=1S/C18H24N2O2S4/c1-9-10(2)13(19-15(23)25-7-17(19,5)21)12(4)14(11(9)3)20-16(24)26-8-18(20,6)22/h21-22H,7-8H2,1-6H3
InChIKeyDYHGWHNUCWTMFK-UHFFFAOYSA-N
MW428.67 g/mol
LogP4.01
Rot. Bonds2

About 4-hydroxy-3-[3-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4-methyl-1,3-thiazolidine-2-thione

4-hydroxy-3-[3-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4-methyl-1,3-thiazolidine-2-thione (PubChem CID 10574576) has the molecular formula C18H24N2O2S4 and a molecular weight of 428.67 g/mol. Its IUPAC name is 4-hydroxy-3-[3-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4-methyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-hydroxy-3-[3-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4-methyl-1,3-thiazolidine-2-thione
PubChem CID10574576
Molecular FormulaC18H24N2O2S4
Molecular Weight428.67 g/mol
Exact Mass428.07
IUPAC Name4-hydroxy-3-[3-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4-methyl-1,3-thiazolidine-2-thione
SMILESCc1c(C)c(N2C(=S)SCC2(C)O)c(C)c(N2C(=S)SCC2(C)O)c1C
InChIInChI=1S/C18H24N2O2S4/c1-9-10(2)13(19-15(23)25-7-17(19,5)21)12(4)14(11(9)3)20-16(24)26-8-18(20,6)22/h21-22H,7-8H2,1-6H3
InChIKeyDYHGWHNUCWTMFK-UHFFFAOYSA-N
XLogP4.01
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.67
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[3-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4-methyl-1,3-thiazolidine-2-thione?
The IUPAC name of 4-hydroxy-3-[3-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4-methyl-1,3-thiazolidine-2-thione (CID 10574576) is 4-hydroxy-3-[3-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4-methyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-hydroxy-3-[3-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4-methyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-hydroxy-3-[3-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4-methyl-1,3-thiazolidine-2-thione is Cc1c(C)c(N2C(=S)SCC2(C)O)c(C)c(N2C(=S)SCC2(C)O)c1C.
What is the InChIKey of 4-hydroxy-3-[3-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4-methyl-1,3-thiazolidine-2-thione?
The InChIKey is DYHGWHNUCWTMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S4/c1-9-10(2)13(19-15(23)25-7-17(19,5)21)12(4)14(11(9)3)20-16(24)26-8-18(20,6)22/h21-22H,7-8H2,1-6H3.
What are the key properties of 4-hydroxy-3-[3-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4-methyl-1,3-thiazolidine-2-thione?
4-hydroxy-3-[3-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4-methyl-1,3-thiazolidine-2-thione has a molecular weight of 428.67 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[3-(4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4-methyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 10574576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).