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6-Methylbenzo[b]thiophene-2-carboxylic acid - 98%, high purity , CAS No.1467-86-3

COA

Grade & Purity:

≥98%

Cas Number: 1467-86-3
Molecular Weight: 192.2
PubChem CID: 12813850

In stock

Item Number

M181563

Grouped product items
SKU	Size	Availability	Price
M181563-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
M181563-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$221.90
M181563-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$699.90

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Benzothiophenes compound (13)

Basic Description

Synonyms	AMY3046 \| DTXSID30510526 \| 6-Methyl-1-benzothiophene-2-carboxylic acid \| Benzo[b]thiophene-2-carboxylic acid, 6-methyl- \| MFCD07377056 \| SCHEMBL121300 \| 6-methylbenzothiophene-2-carboxylic acid \| 1467-86-3
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Protected from light
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiophenes
    - Subclass 1-benzothiophenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiophenes
Subclass	1-benzothiophenes
Intermediate Tree Nodes	Not available
Direct Parent	1-benzothiophenes
Alternative Parents	Thiophene carboxylic acids 2,3,5-trisubstituted thiophenes Benzenoids Heteroaromatic compounds Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-benzothiophene - 2,3,5-trisubstituted thiophene - Thiophene carboxylic acid or derivatives - Thiophene carboxylic acid - Benzenoid - Heteroaromatic compound - Thiophene - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	6-methyl-1-benzothiophene-2-carboxylic acid
INCHI	InChI=1S/C10H8O2S/c1-6-2-3-7-5-9(10(11)12)13-8(7)4-6/h2-5H,1H3,(H,11,12)
InChIKey	KQRBOHOKLNORTA-UHFFFAOYSA-N
Smiles	CC1=CC2=C(C=C1)C=C(S2)C(=O)O
Isomeric SMILES	CC1=CC2=C(C=C1)C=C(S2)C(=O)O
Molecular Weight	192.2
Reaxy-Rn	2210842
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210842&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
H2409649	Certificate of Analysis	Aug 01, 2024	M181563
H2409650	Certificate of Analysis	Aug 01, 2024	M181563
H2409651	Certificate of Analysis	Aug 01, 2024	M181563
H2409652	Certificate of Analysis	Aug 01, 2024	M181563
H2409653	Certificate of Analysis	Aug 01, 2024	M181563
H2409654	Certificate of Analysis	Aug 01, 2024	M181563

Chemical and Physical Properties

Sensitivity	Light sensitive
Molecular Weight	192.240 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	192.025 Da
Monoisotopic Mass	192.025 Da
Topological Polar Surface Area	65.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	217.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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