2-(Methylthio)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one

Name: 2-(Methylthio)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one
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CAS No. 1344087-73-5
Cat. No. CS-0058818
Molecule weight322.28
Purity≥98%
MDL No.None

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2-(Methylthio)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one|CS-0058818

Structure of 1344087-73-5

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General Information

CAS No. 1344087-73-5
Cat. No. CS-0058818
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₅F₃N₂O₃S₂
Molecular Weight 322.28
Synonym(s) .2-methylthio-8-nitro-6-trifluoromethyl-4H-1,3-benzothiazin-4-one
SMILES O=C1N=C(SC)SC2=C([N+]([O-])=O)C=C(C(F)(F)F)C=C12

Description

This 2-(methylthio)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one features a fused heterocyclic core bearing electron-withdrawing nitro and trifluoromethyl groups, enhancing reactivity at the carbonyl position. The methylthio substituent provides a handle for further functionalization, while the overall structure exhibits bench-stable behavior under standard conditions.

Application

2-(Methylthio)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one serves as a versatile heterocyclic building block for medicinal chemistry and agrochemical research. Its electron-deficient core enables reliable coupling reactions, while the methylthio and trifluoromethyl groups offer orthogonal functional handles. Bench-stable and amenable to standard purification methods, it facilitates efficient access to complex scaffolds in multi-step syntheses.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 73.1
LogP 3.3054
H_Acceptors 6
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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2-(Methylthio)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one

CAS No. 1344087-73-5

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