Isobutyl xanthate structure

Isobutyl xanthate

2-methylpropoxymethanedithioic acid

CAS: 6791-12-4
Molecular Formula C5H10OS2
Molecular Weight 150.3 g/mol
LogP 2.6
Topological Polar Surface Area 42.3 A2
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
Rotatable Bonds 3
Exact Mass 150.0173
Heavy Atoms 8
Complexity 80.0

Chemical Identifiers

CAS Number 6791-12-4
SMILES CC(C)COC(=S)S
InChIKey KOVPITHBHSZRLT-UHFFFAOYSA-N

📖 Product Overview

Isobutyl xanthate (CAS: 6791-12-4) is a chemical compound with molecular formula C5H10OS2 and molecular weight 150.3 g/mol. Its IUPAC systematic name is 2-methylpropoxymethanedithioic acid. LogP 2.6 Topological Polar Surface Area 42.3 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 150.0173 Heavy Atoms 8 Complexity 80.0 InChI Key: KOVPITHBHSZRLT-UHFFFAOYSA-N. SMILES: CC(C)COC(=S)S.

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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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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
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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