3-[3-(4,5-dimethyl-2-sulfanylidene-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazole-2-thione

C20H24N2S4 — CID 10669835

IUPAC3-[3-(4,5-dimethyl-2-sulfanylidene-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazole-2-thione
SMILESCc1sc(=S)n(-c2c(C)c(C)c(C)c(-n3c(C)c(C)sc3=S)c2C)c1C
InChIInChI=1S/C20H24N2S4/c1-9-10(2)17(21-13(5)15(7)25-19(21)23)12(4)18(11(9)3)22-14(6)16(8)26-20(22)24/h1-8H3
InChIKeyVZBGUHBHGZVCCP-UHFFFAOYSA-N
MW420.69 g/mol
LogP7.32
Rot. Bonds2

About 3-[3-(4,5-dimethyl-2-sulfanylidene-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazole-2-thione

3-[3-(4,5-dimethyl-2-sulfanylidene-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazole-2-thione (PubChem CID 10669835) has the molecular formula C20H24N2S4 and a molecular weight of 420.69 g/mol. Its IUPAC name is 3-[3-(4,5-dimethyl-2-sulfanylidene-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-[3-(4,5-dimethyl-2-sulfanylidene-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazole-2-thione
PubChem CID10669835
Molecular FormulaC20H24N2S4
Molecular Weight420.69 g/mol
Exact Mass420.08
IUPAC Name3-[3-(4,5-dimethyl-2-sulfanylidene-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazole-2-thione
SMILESCc1sc(=S)n(-c2c(C)c(C)c(C)c(-n3c(C)c(C)sc3=S)c2C)c1C
InChIInChI=1S/C20H24N2S4/c1-9-10(2)17(21-13(5)15(7)25-19(21)23)12(4)18(11(9)3)22-14(6)16(8)26-20(22)24/h1-8H3
InChIKeyVZBGUHBHGZVCCP-UHFFFAOYSA-N
XLogP7.32
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.69
LogP ≤ 57.32
H-Bond Donors ≤ 50
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 3-[3-(4,5-dimethyl-2-sulfanylidene-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazole-2-thione?
The IUPAC name of 3-[3-(4,5-dimethyl-2-sulfanylidene-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazole-2-thione (CID 10669835) is 3-[3-(4,5-dimethyl-2-sulfanylidene-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazole-2-thione.
What is the SMILES notation for 3-[3-(4,5-dimethyl-2-sulfanylidene-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazole-2-thione?
The canonical SMILES for 3-[3-(4,5-dimethyl-2-sulfanylidene-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazole-2-thione is Cc1sc(=S)n(-c2c(C)c(C)c(C)c(-n3c(C)c(C)sc3=S)c2C)c1C.
What is the InChIKey of 3-[3-(4,5-dimethyl-2-sulfanylidene-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazole-2-thione?
The InChIKey is VZBGUHBHGZVCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2S4/c1-9-10(2)17(21-13(5)15(7)25-19(21)23)12(4)18(11(9)3)22-14(6)16(8)26-20(22)24/h1-8H3.
What are the key properties of 3-[3-(4,5-dimethyl-2-sulfanylidene-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazole-2-thione?
3-[3-(4,5-dimethyl-2-sulfanylidene-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazole-2-thione has a molecular weight of 420.69 g/mol, XLogP of 7.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,5-dimethyl-2-sulfanylidene-1,3-thiazol-3-yl)-2,4,5,6-tetramethylphenyl]-4,5-dimethyl-1,3-thiazole-2-thione is sourced from PubChem (CID 10669835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).