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

C20H28N2O2S4 — CID 10623702

IUPAC4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione
SMILESCc1c(C)c(N2C(=S)SC(C)C2(C)O)c(C)c(N2C(=S)SC(C)C2(C)O)c1C
InChIInChI=1S/C20H28N2O2S4/c1-9-10(2)15(21-17(25)27-13(5)19(21,7)23)12(4)16(11(9)3)22-18(26)28-14(6)20(22,8)24/h13-14,23-24H,1-8H3
InChIKeyIXRBBNSVJAKHBM-UHFFFAOYSA-N
MW456.72 g/mol
LogP4.79
Rot. Bonds2

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

4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione (PubChem CID 10623702) has the molecular formula C20H28N2O2S4 and a molecular weight of 456.72 g/mol. Its IUPAC name is 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione
PubChem CID10623702
Molecular FormulaC20H28N2O2S4
Molecular Weight456.72 g/mol
Exact Mass456.10
IUPAC Name4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione
SMILESCc1c(C)c(N2C(=S)SC(C)C2(C)O)c(C)c(N2C(=S)SC(C)C2(C)O)c1C
InChIInChI=1S/C20H28N2O2S4/c1-9-10(2)15(21-17(25)27-13(5)19(21,7)23)12(4)16(11(9)3)22-18(26)28-14(6)20(22,8)24/h13-14,23-24H,1-8H3
InChIKeyIXRBBNSVJAKHBM-UHFFFAOYSA-N
XLogP4.79
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.72
LogP ≤ 54.79
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-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione?
The IUPAC name of 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione (CID 10623702) is 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione is Cc1c(C)c(N2C(=S)SC(C)C2(C)O)c(C)c(N2C(=S)SC(C)C2(C)O)c1C.
What is the InChIKey of 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione?
The InChIKey is IXRBBNSVJAKHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S4/c1-9-10(2)15(21-17(25)27-13(5)19(21,7)23)12(4)16(11(9)3)22-18(26)28-14(6)20(22,8)24/h13-14,23-24H,1-8H3.
What are the key properties of 4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione?
4-hydroxy-3-[3-(4-hydroxy-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione has a molecular weight of 456.72 g/mol, XLogP of 4.79, 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-4,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 10623702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).