6-Chlorothiochroman-4-one

Name: 6-Chlorothiochroman-4-one
Brand: ChemScene
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CAS No. 13735-12-1
Cat. No. CS-0204754
Purity≥98%
MDL No.MFCD00052997

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 13735-12-1

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Description

6-Chlorothiochroman-4-one is a heterocyclic ketone featuring a chlorine-substituted thiochroman core, offering enhanced reactivity at the carbonyl site. This electron-deficient scaffold enables efficient conjugate additions and serves as a key intermediate in medicinal chemistry for bioactive compound synthesis.

Application

6-Chlorothiochroman-4-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to thiochromanone-based scaffolds. Its chlorinated aromatic ring facilitates electrophilic substitution and transition-metal-catalyzed coupling reactions, while the ketone functionality supports nucleophilic additions and enolate chemistry. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthesis campaigns in API development.

General Information

CAS No. 13735-12-1
Cat. No. CS-0204754
Purity ≥98%
MDL No. MFCD00052997
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇ClOS
Molecular Weight 198.67
Synonym(s) 6-chloro-2,3-dihydro-4H-1-benzothiopyran-4-one
SMILES O=C1C2=CC(Cl)=CC=C2SCC1

Computational Chemistry Data

TPSA 17.07
LogP 3.0185
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

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 : H317
Precautionary Statements : P261-P272-P280-P302+P352-P363-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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6-Chlorothiochroman-4-one

CAS No. 13735-12-1

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