Name: Name:3-Methylbenzo[b]thiophene-2-carboxylic acid
Brand: AABLOCKS
SKU: AA003JNW
Rating: 90 (10 reviews)

Catalog No.: AA003JNW

3133-78-6 | 3-Methylbenzo[b]thiophene-2-carboxylic acid

Pack Size： 250mg

Purity： 98%

in stock

$6.00 $4.00

Pack Size： 1g

Purity： 98%

in stock

$16.00 $12.00

Pack Size： 5g

Purity： 98%

in stock

$78.00 $55.00

Pack Size： 25g

Purity： 98%

in stock

$384.00 $269.00

Pack Size： 100g

Purity： 98%

in stock

$1,534.00 $1,074.00

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Technical Information

Catalog Number: AA003JNW

Chemical Name: 3-Methylbenzo[b]thiophene-2-carboxylic acid

CAS Number: 3133-78-6

Molecular Formula: C10H8O2S

Molecular Weight: 192.2343

MDL Number: MFCD01830305

SMILES: OC(=O)c1sc2c(c1C)cccc2

Properties

BP: 379.9 °C at 760 mmHg

Form: Solid

MP: 241-244 °C

Storage: Keep in dry area;2-8℃;

Complexity: 217

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.2

Downstream Synthesis Route

1455-18-1

3133-78-6

[1]Shirleyetal.[JournaloftheAmericanChemicalSociety,1953,vol.75,p.3278]

[2]Gaertner[JournaloftheAmericanChemicalSociety,1952,vol.74,p.2185,2187]

5381-23-7

3133-78-6

[1]Gaertner[JournaloftheAmericanChemicalSociety,1952,vol.74,p.2185,2187]

3216-47-5

3133-78-6

[1]Gaertner[JournaloftheAmericanChemicalSociety,1952,vol.74,p.2185,2187]

[2]Gaertner[JournaloftheAmericanChemicalSociety,1952,vol.74,p.2185,2187]

[3]Gaertner[JournaloftheAmericanChemicalSociety,1952,vol.74,p.2185,2187]

3133-78-6

1455-18-1

[1]Lu,Pengfel;Sanchez,Carolina;Cornella,Josep;Larrosa,Igor[OrganicLetters,2009,vol.11,#24,p.5710-5713]

[2]Li,Zhaojie;Fu,Zhengjiang;Zhang,Haixia;Long,Jiao;Song,Yuanyuan;Cai,Hu[NewJournalofChemistry,2016,vol.40,#4,p.3014-3018]

[3]Ricci[AnnalidiChimica,1953,vol.43,p.323,328]

3133-78-6

3133-88-8

[1]Gaertner[JournaloftheAmericanChemicalSociety,1952,vol.74,p.2185,2187]

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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