Name: Name:Benzo[b]thiophene-3-acetic acid, 5-methyl-
Brand: Angene
SKU: AG001YZ2
Rating: 90 (10 reviews)

Benzo[b]thiophene-3-acetic acid, 5-methyl-

CAS No.:

1735-12-2

Catalog Number:

AG001YZ2

Molecular Formula:

C11H10O2S

Molecular Weight:

206.2609

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Product Description

Catalog Number:

AG001YZ2

Chemical Name:

Benzo[b]thiophene-3-acetic acid, 5-methyl-

CAS Number:

1735-12-2

Molecular Formula:

C11H10O2S

Molecular Weight:

206.2609

MDL Number:

MFCD01663450

IUPAC Name:

2-(5-methyl-1-benzothiophen-3-yl)acetic acid

InChI:

InChI=1S/C11H10O2S/c1-7-2-3-10-9(4-7)8(6-14-10)5-11(12)13/h2-4,6H,5H2,1H3,(H,12,13)

InChI Key:

KYZMXUFJGWTSOX-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1csc2c1cc(C)cc2

Properties

Complexity:

229

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

206.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

206.259g/mol

Monoisotopic Mass:

206.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

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