Name: Name:2-Thiophenebutanoic acid, 5-methyl-γ-oxo-
Brand: Angene
SKU: AG002LS5
Rating: 90 (10 reviews)

2-Thiophenebutanoic acid, 5-methyl-γ-oxo-

CAS No.:

22988-52-9

Catalog Number:

AG002LS5

Molecular Formula:

C9H10O3S

Molecular Weight:

198.2389

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Product Description

Catalog Number:

AG002LS5

Chemical Name:

2-Thiophenebutanoic acid, 5-methyl-γ-oxo-

CAS Number:

22988-52-9

Molecular Formula:

C9H10O3S

Molecular Weight:

198.2389

MDL Number:

MFCD06201682

IUPAC Name:

4-(5-methylthiophen-2-yl)-4-oxobutanoic acid

InChI:

InChI=1S/C9H10O3S/c1-6-2-4-8(13-6)7(10)3-5-9(11)12/h2,4H,3,5H2,1H3,(H,11,12)

InChI Key:

BBGWOJJYYCDOAN-UHFFFAOYSA-N

SMILES:

Cc1ccc(s1)C(=O)CCC(=O)O

Properties

Complexity:

215

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.236g/mol

Monoisotopic Mass:

198.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

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