O-(3-methylbutyl) [2-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]sulfanylmethanethioate

CAS: 90619-17-3

Molecular Formula	`C16H19NO4S2`
Molecular Weight	353.5 g/mol
LogP	4.0
Topological Polar Surface Area	113.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	353.07556
Heavy Atoms	23
Complexity	455.0

Chemical Identifiers

CAS Number	90619-17-3
SMILES	`CC(C)CCOC(=S)SCC(=O)N1C(=O)COC2=CC=CC=C21`
InChIKey	`JXEYFWZIYNTERZ-UHFFFAOYSA-N`

📖 Product Overview

O-(3-methylbutyl) [2-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]sulfanylmethanethioate (CAS: 90619-17-3) is a chemical compound with molecular formula C16H19NO4S2 and molecular weight 353.5 g/mol. Its IUPAC systematic name is O-(3-methylbutyl) [2-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]sulfanylmethanethioate. LogP 4.0 Topological Polar Surface Area 113.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 353.07556 Heavy Atoms 23 Complexity 455.0 InChI Key: JXEYFWZIYNTERZ-UHFFFAOYSA-N. SMILES: CC(C)CCOC(=S)SCC(=O)N1C(=O)COC2=CC=CC=C21.

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

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for O-(3-methylbutyl) [2-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]sulfanylmethanethioate.

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