Name: Name:2-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}benzoic acid
Brand: Angene
SKU: AG019OU6
Rating: 90 (10 reviews)

2-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}benzoic acid

CAS No.:

873208-64-1

Catalog Number:

AG019OU6

Molecular Formula:

C12H11NO3S

Molecular Weight:

249.2856

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Product Description

Catalog Number:

AG019OU6

Chemical Name:

2-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}benzoic acid

CAS Number:

873208-64-1

Molecular Formula:

C12H11NO3S

Molecular Weight:

249.2856

MDL Number:

MFCD07687270

IUPAC Name:

2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoic acid

InChI:

InChI=1S/C12H11NO3S/c1-8-6-9(16-13-8)7-17-11-5-3-2-4-10(11)12(14)15/h2-6H,7H2,1H3,(H,14,15)

InChI Key:

VZXNHHOHGFNDHL-UHFFFAOYSA-N

SMILES:

Cc1noc(c1)CSc1ccccc1C(=O)O

Properties

Complexity:

275

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.284g/mol

Monoisotopic Mass:

249.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501