4-methyl-3-[2-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]-1,3-thiazole-2-thione

C10H12N2S4 — CID 10661049

IUPAC4-methyl-3-[2-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]-1,3-thiazole-2-thione
SMILESCc1csc(=S)n1CCn1c(C)csc1=S
InChIInChI=1S/C10H12N2S4/c1-7-5-15-9(13)11(7)3-4-12-8(2)6-16-10(12)14/h5-6H,3-4H2,1-2H3
InChIKeyWHPLZAGEILUSBF-UHFFFAOYSA-N
MW288.49 g/mol
LogP4.19
Rot. Bonds3

About 4-methyl-3-[2-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]-1,3-thiazole-2-thione

4-methyl-3-[2-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]-1,3-thiazole-2-thione (PubChem CID 10661049) has the molecular formula C10H12N2S4 and a molecular weight of 288.49 g/mol. Its IUPAC name is 4-methyl-3-[2-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-methyl-3-[2-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]-1,3-thiazole-2-thione
PubChem CID10661049
Molecular FormulaC10H12N2S4
Molecular Weight288.49 g/mol
Exact Mass287.99
IUPAC Name4-methyl-3-[2-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]-1,3-thiazole-2-thione
SMILESCc1csc(=S)n1CCn1c(C)csc1=S
InChIInChI=1S/C10H12N2S4/c1-7-5-15-9(13)11(7)3-4-12-8(2)6-16-10(12)14/h5-6H,3-4H2,1-2H3
InChIKeyWHPLZAGEILUSBF-UHFFFAOYSA-N
XLogP4.19
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.49
LogP ≤ 54.19
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-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]-1,3-thiazole-2-thione?
The IUPAC name of 4-methyl-3-[2-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]-1,3-thiazole-2-thione (CID 10661049) is 4-methyl-3-[2-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 4-methyl-3-[2-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]-1,3-thiazole-2-thione?
The canonical SMILES for 4-methyl-3-[2-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]-1,3-thiazole-2-thione is Cc1csc(=S)n1CCn1c(C)csc1=S.
What is the InChIKey of 4-methyl-3-[2-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]-1,3-thiazole-2-thione?
The InChIKey is WHPLZAGEILUSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S4/c1-7-5-15-9(13)11(7)3-4-12-8(2)6-16-10(12)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-methyl-3-[2-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]-1,3-thiazole-2-thione?
4-methyl-3-[2-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]-1,3-thiazole-2-thione has a molecular weight of 288.49 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)ethyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 10661049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).