Tetrahydro-2H-thiopyran-4-carbonitrile

Name: Tetrahydro-2H-thiopyran-4-carbonitrile
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CAS No. 195503-40-3
Cat. No. CS-0045921
Purity≥97%
MDL No.MFCD09025909

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FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Tetrahydro-2H-thiopyran-4-carbonitrile|CS-0045921

Structure of 195503-40-3

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General Information

CAS No. 195503-40-3
Cat. No. CS-0045921
Purity ≥97%
MDL No. MFCD09025909
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₉NS
Molecular Weight 127.21
Synonym(s) thiane-4-carbonitrile
SMILES N#CC1CCSCC1

Description

Tetrahydro-2H-thiopyran-4-carbonitrile features a saturated thiopyran ring with a nitrile group at the 4-position, offering a robust scaffold for synthetic transformations. This moisture-tolerant heterocycle integrates readily into complex molecular architectures, providing a stable handle for further functionalization in medicinal chemistry and materials development.

Application

Tetrahydro-2H-thiopyran-4-carbonitrile serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to sulfur-containing scaffolds. Its nitrile group offers high functional group tolerance and facilitates downstream transformations such as hydrolysis or nucleophilic addition. The saturated thiopyran core provides structural rigidity and favorable physicochemical properties, enhancing its utility in lead optimization campaigns. The compound exhibits excellent bench stability and is compatible with standard synthetic protocols.

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

TPSA 23.79
LogP 1.65318
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Key Words

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Tetrahydro-2H-thiopyran-4-carbonitrile

CAS No. 195503-40-3

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