Name: Name:(2-[(4-FLUOROBENZYL)SULFANYL]-1-METHYL-1H-IMIDAZOL-5-YL)METHANOL
Brand: Angene
SKU: AG00C835
Rating: 90 (10 reviews)

(2-[(4-FLUOROBENZYL)SULFANYL]-1-METHYL-1H-IMIDAZOL-5-YL)METHANOL

CAS No.:

338422-40-5

Catalog Number:

AG00C835

Molecular Formula:

C12H13FN2OS

Molecular Weight:

252.3078

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Purity

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Product Description

Catalog Number:

AG00C835

Chemical Name:

(2-[(4-FLUOROBENZYL)SULFANYL]-1-METHYL-1H-IMIDAZOL-5-YL)METHANOL

CAS Number:

338422-40-5

Molecular Formula:

C12H13FN2OS

Molecular Weight:

252.3078

MDL Number:

MFCD00215148

IUPAC Name:

[2-[(4-fluorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol

InChI:

InChI=1S/C12H13FN2OS/c1-15-11(7-16)6-14-12(15)17-8-9-2-4-10(13)5-3-9/h2-6,16H,7-8H2,1H3

InChI Key:

CBFLNDHQJUDXSL-UHFFFAOYSA-N

SMILES:

OCc1cnc(n1C)SCc1ccc(cc1)F

Properties

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.307g/mol

Monoisotopic Mass:

252.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

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

Properties