Name: Name:Benzo[b]thiophene-2-carboxylic acid, 5-methyl-
Brand: Angene
SKU: AG001MOJ
Rating: 90 (10 reviews)

Benzo[b]thiophene-2-carboxylic acid, 5-methyl-

CAS No.:

1505-62-0

Catalog Number:

AG001MOJ

Molecular Formula:

C10H8O2S

Molecular Weight:

192.2343

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Product Description

Catalog Number:

AG001MOJ

Chemical Name:

Benzo[b]thiophene-2-carboxylic acid, 5-methyl-

CAS Number:

1505-62-0

Molecular Formula:

C10H8O2S

Molecular Weight:

192.2343

MDL Number:

MFCD04969088

IUPAC Name:

5-methyl-1-benzothiophene-2-carboxylic acid

InChI:

InChI=1S/C10H8O2S/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5H,1H3,(H,11,12)

InChI Key:

OUFWTHMQVXSBCF-UHFFFAOYSA-N

SMILES:

Cc1ccc2c(c1)cc(s2)C(=O)O

Properties

Complexity:

217

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

192.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

192.232g/mol

Monoisotopic Mass:

192.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties