80756-85-0 | S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate

Packsize	Purity	Availability	Price	Discounted Price
25g	≥97%	in stock	$19.00	$13.00
500g	95%	in stock	$251.00	$176.00

Description

• Catalog Number: AB56247
• Chemical Name: S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate
• CAS Number: 80756-85-0
• Molecular Formula: C13H10N4O2S3
• Molecular Weight: 350.4391
• MDL Number: MFCD00071547
• SMILES: CO/N=C(/c1csc(n1)N)\C(=O)Sc1nc2c(s1)cccc2

Computed Properties

• Complexity: 451
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 22
• Hydrogen Bond Acceptor Count: 9
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 5
• XLogP3: 4.1

Literature

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101