Name: Name:2-{[1-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG00IDKH
Rating: 90 (10 reviews)

2-{[1-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid

CAS No.:

851814-13-6

Catalog Number:

AG00IDKH

Molecular Formula:

C11H9BrN2O2S

Molecular Weight:

313.1704

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Product Description

Catalog Number:

AG00IDKH

Chemical Name:

2-{[1-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid

CAS Number:

851814-13-6

Molecular Formula:

C11H9BrN2O2S

Molecular Weight:

313.1704

MDL Number:

MFCD06386696

IUPAC Name:

2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetic acid

InChI:

InChI=1S/C11H9BrN2O2S/c12-8-1-3-9(4-2-8)14-6-5-13-11(14)17-7-10(15)16/h1-6H,7H2,(H,15,16)

InChI Key:

PEEPFTNBRLCVMY-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nccn1c1ccc(cc1)Br

Properties

Complexity:

272

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

311.957g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

313.169g/mol

Monoisotopic Mass:

311.957g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.4A^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