2,5-Dimethyl-3-thioisovalerylfuran

S-(2,5-dimethylfuran-3-yl) 3-methylbutanethioate

CAS: 55764-28-8

Molecular Formula	`C11H16O2S`
Molecular Weight	212.31 g/mol
LogP	3.3
Topological Polar Surface Area	55.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	212.0871
Heavy Atoms	14
Complexity	203.0

Chemical Identifiers

CAS Number	55764-28-8
SMILES	`CC1=CC(=C(O1)C)SC(=O)CC(C)C`
InChIKey	`XFNLWIPNTYNNJX-UHFFFAOYSA-N`

📖 Product Overview

2,5-Dimethyl-3-thioisovalerylfuran (CAS: 55764-28-8) is a chemical compound with molecular formula C11H16O2S and molecular weight 212.31 g/mol. Its IUPAC systematic name is S-(2,5-dimethylfuran-3-yl) 3-methylbutanethioate. LogP 3.3 Topological Polar Surface Area 55.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 212.0871 Heavy Atoms 14 Complexity 203.0 InChI Key: XFNLWIPNTYNNJX-UHFFFAOYSA-N. SMILES: CC1=CC(=C(O1)C)SC(=O)CC(C)C.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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