2-[2,2,2-tris(methylsulfanyl)ethoxy]-1,3-thiazole

C8H13NOS4 — CID 54478310

IUPAC2-[2,2,2-tris(methylsulfanyl)ethoxy]-1,3-thiazole
SMILESCSC(COc1nccs1)(SC)SC
InChIInChI=1S/C8H13NOS4/c1-11-8(12-2,13-3)6-10-7-9-4-5-14-7/h4-5H,6H2,1-3H3
InChIKeyIAIPBKIYTRBXHK-UHFFFAOYSA-N
MW267.47 g/mol
LogP3.26
Rot. Bonds6

About 2-[2,2,2-tris(methylsulfanyl)ethoxy]-1,3-thiazole

2-[2,2,2-tris(methylsulfanyl)ethoxy]-1,3-thiazole (PubChem CID 54478310) has the molecular formula C8H13NOS4 and a molecular weight of 267.47 g/mol. Its IUPAC name is 2-[2,2,2-tris(methylsulfanyl)ethoxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[2,2,2-tris(methylsulfanyl)ethoxy]-1,3-thiazole
PubChem CID54478310
Molecular FormulaC8H13NOS4
Molecular Weight267.47 g/mol
Exact Mass266.99
IUPAC Name2-[2,2,2-tris(methylsulfanyl)ethoxy]-1,3-thiazole
SMILESCSC(COc1nccs1)(SC)SC
InChIInChI=1S/C8H13NOS4/c1-11-8(12-2,13-3)6-10-7-9-4-5-14-7/h4-5H,6H2,1-3H3
InChIKeyIAIPBKIYTRBXHK-UHFFFAOYSA-N
XLogP3.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.47
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[2,2,2-tris(methylsulfanyl)ethoxy]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2,2,2-tris(methylsulfanyl)ethoxy]-1,3-thiazole?
The IUPAC name of 2-[2,2,2-tris(methylsulfanyl)ethoxy]-1,3-thiazole (CID 54478310) is 2-[2,2,2-tris(methylsulfanyl)ethoxy]-1,3-thiazole.
What is the SMILES notation for 2-[2,2,2-tris(methylsulfanyl)ethoxy]-1,3-thiazole?
The canonical SMILES for 2-[2,2,2-tris(methylsulfanyl)ethoxy]-1,3-thiazole is CSC(COc1nccs1)(SC)SC.
What is the InChIKey of 2-[2,2,2-tris(methylsulfanyl)ethoxy]-1,3-thiazole?
The InChIKey is IAIPBKIYTRBXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS4/c1-11-8(12-2,13-3)6-10-7-9-4-5-14-7/h4-5H,6H2,1-3H3.
What are the key properties of 2-[2,2,2-tris(methylsulfanyl)ethoxy]-1,3-thiazole?
2-[2,2,2-tris(methylsulfanyl)ethoxy]-1,3-thiazole has a molecular weight of 267.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,2-tris(methylsulfanyl)ethoxy]-1,3-thiazole is sourced from PubChem (CID 54478310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).