4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione

C18H20N2S4 — CID 10596710

IUPAC4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione
SMILESCc1c(C)c(-n2c(C)csc2=S)c(C)c(-n2c(C)csc2=S)c1C
InChIInChI=1S/C18H20N2S4/c1-9-7-23-17(21)19(9)15-12(4)11(3)13(5)16(14(15)6)20-10(2)8-24-18(20)22/h7-8H,1-6H3
InChIKeyQVSFESMCVSGANK-UHFFFAOYSA-N
MW392.64 g/mol
LogP6.70
Rot. Bonds2

About 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione

4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione (PubChem CID 10596710) has the molecular formula C18H20N2S4 and a molecular weight of 392.64 g/mol. Its IUPAC name is 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione
PubChem CID10596710
Molecular FormulaC18H20N2S4
Molecular Weight392.64 g/mol
Exact Mass392.05
IUPAC Name4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione
SMILESCc1c(C)c(-n2c(C)csc2=S)c(C)c(-n2c(C)csc2=S)c1C
InChIInChI=1S/C18H20N2S4/c1-9-7-23-17(21)19(9)15-12(4)11(3)13(5)16(14(15)6)20-10(2)8-24-18(20)22/h7-8H,1-6H3
InChIKeyQVSFESMCVSGANK-UHFFFAOYSA-N
XLogP6.70
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.64
LogP ≤ 56.70
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 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione?
The IUPAC name of 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione (CID 10596710) is 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione?
The canonical SMILES for 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione is Cc1c(C)c(-n2c(C)csc2=S)c(C)c(-n2c(C)csc2=S)c1C.
What is the InChIKey of 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione?
The InChIKey is QVSFESMCVSGANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S4/c1-9-7-23-17(21)19(9)15-12(4)11(3)13(5)16(14(15)6)20-10(2)8-24-18(20)22/h7-8H,1-6H3.
What are the key properties of 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione?
4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione has a molecular weight of 392.64 g/mol, XLogP of 6.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 10596710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).