Name: Name:4-{[(4-methyl-1,3-thiazol-2-yl)sulfanyl]methyl}benzoic acid
Brand: Angene
SKU: AG019JBL
Rating: 90 (10 reviews)

4-{[(4-methyl-1,3-thiazol-2-yl)sulfanyl]methyl}benzoic acid

CAS No.:

743452-52-0

Catalog Number:

AG019JBL

Molecular Formula:

C12H11NO2S2

Molecular Weight:

265.3512

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Product Description

Catalog Number:

AG019JBL

Chemical Name:

4-{[(4-methyl-1,3-thiazol-2-yl)sulfanyl]methyl}benzoic acid

CAS Number:

743452-52-0

Molecular Formula:

C12H11NO2S2

Molecular Weight:

265.3512

MDL Number:

MFCD05263783

IUPAC Name:

4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoic acid

InChI:

InChI=1S/C12H11NO2S2/c1-8-6-16-12(13-8)17-7-9-2-4-10(5-3-9)11(14)15/h2-6H,7H2,1H3,(H,14,15)

InChI Key:

NODWFSIKRNTPCY-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)CSc1scc(n1)C

Properties

Complexity:

267

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.023g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.345g/mol

Monoisotopic Mass:

265.023g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^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
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