Name: Name:2-{[1-(3-chlorophenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG019NY3
Rating: 90 (10 reviews)

2-{[1-(3-chlorophenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid

CAS No.:

851721-96-5

Catalog Number:

AG019NY3

Molecular Formula:

C11H9ClN2O2S

Molecular Weight:

268.7194

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Product Description

Catalog Number:

AG019NY3

Chemical Name:

2-{[1-(3-chlorophenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid

CAS Number:

851721-96-5

Molecular Formula:

C11H9ClN2O2S

Molecular Weight:

268.7194

MDL Number:

MFCD06382854

IUPAC Name:

2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetic acid

InChI:

InChI=1S/C11H9ClN2O2S/c12-8-2-1-3-9(6-8)14-5-4-13-11(14)17-7-10(15)16/h1-6H,7H2,(H,15,16)

InChI Key:

JRWOMBUIKGZZBQ-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nccn1c1cccc(c1)Cl

Properties

Complexity:

280

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.007g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.715g/mol

Monoisotopic Mass:

268.007g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
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