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5,6-Dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid - 97%, high purity , CAS No.40133-06-0

≥97%

CAS#: 40133-06-0
Formula: C₈H₈O₂S
Molecular Weight: 168.22
PubChem CID: 770980

Item Number

D358318

Grouped product items
SKU	Size	Availability	Price
D358318-100mg	100mg	In stock	$37.90
D358318-250mg	250mg	In stock	$63.90
D358318-1g	1g	In stock	$165.90
D358318-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$742.90

Basic Description

Synonyms	5,6-Dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid \| 40133-06-0 \| 4H,5H,6H-cyclopenta[b]thiophene-2-carboxylic acid \| CHEMBL2324852 \| Enamine_001870 \| 4-N-BUTOXYBENZYLBROMIDE \| SCHEMBL2954334 \| DTXSID30354381 \| 4,5,6-trihydrocyclopenta[2,1-b]thiophene-2-carboxylic a
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice

pKa

pKa: 3.91 (Predicted)

Ki Data

human recombinant N-terminal His-tagged DAO Y224A mutant expressed in Escherichia coli BL21: Ki= 4.59 μM; DAAO: Ki= 9.92 μM (human); human recombinant N-terminal His-tagged DAO Y224F mutant expressed in Escherichia coli BL21: Ki= 14.4 μM

Associated Targets(Human)

HEK293 (82097 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SRR Tbio Serine racemase (249 Activities)

Discover Target: SRR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DAO Tchem D-amino-acid oxidase (802 Activities)

Discover Target: DAO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DDO Tchem D-aspartate oxidase (120 Activities)

Discover Target: DDO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

IUPAC Name	5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid
INCHI	InChI=1S/C8H8O2S/c9-8(10)7-4-5-2-1-3-6(5)11-7/h4H,1-3H2,(H,9,10)
InChi Key	XSFUFVBXPLWNBK-UHFFFAOYSA-N
Canonical SMILES	C1CC2=C(C1)SC(=C2)C(=O)O
Isomeric SMILES	C1CC2=C(C1)SC(=C2)C(=O)O
PubChem CID	770980
Molecular Weight	168.22

Certificates

Certificate of Analysis(COA)

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4 results found

Lot Number	Certificate Type	Date	Item
K2204288	Certificate of Analysis	Sep 13, 2022	D358318
K2204289	Certificate of Analysis	Sep 13, 2022	D358318
K2204416	Certificate of Analysis	Sep 13, 2022	D358318
K2204417	Certificate of Analysis	Sep 13, 2022	D358318

Refractive Index

n20D~1.65 (Predicted)

Boil Point(°C)

~347.7° C at 760 mmHg (Predicted)

Melt Point(°C)

200-202° C

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed H312:Harmful in contact with skin H332:Harmful if inhaled
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P317:Get emergency medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.

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