Name: Name:2-{[1-(3-chloro-2-methylphenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG00IDKM
Rating: 90 (10 reviews)

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

CAS No.:

851879-30-6

Catalog Number:

AG00IDKM

Molecular Formula:

C12H11ClN2O2S

Molecular Weight:

282.7459

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Product Description

Catalog Number:

AG00IDKM

Chemical Name:

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

CAS Number:

851879-30-6

Molecular Formula:

C12H11ClN2O2S

Molecular Weight:

282.7459

MDL Number:

MFCD06655282

IUPAC Name:

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

InChI:

InChI=1S/C12H11ClN2O2S/c1-8-9(13)3-2-4-10(8)15-6-5-14-12(15)18-7-11(16)17/h2-6H,7H2,1H3,(H,16,17)

InChI Key:

OEWJHFVPLBRIHD-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nccn1c1cccc(c1C)Cl

Properties

Complexity:

306

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.023g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.742g/mol

Monoisotopic Mass:

282.023g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

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