Name: Name:4-benzyl-5-methyl-1H-imidazole-2-thiol
Brand: Angene
SKU: AG019JI0
Rating: 90 (10 reviews)

4-benzyl-5-methyl-1H-imidazole-2-thiol

CAS No.:

472996-14-8

Catalog Number:

AG019JI0

Molecular Formula:

C11H12N2S

Molecular Weight:

204.2914

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Product Description

Catalog Number:

AG019JI0

Chemical Name:

4-benzyl-5-methyl-1H-imidazole-2-thiol

CAS Number:

472996-14-8

Molecular Formula:

C11H12N2S

Molecular Weight:

204.2914

MDL Number:

MFCD26131692

IUPAC Name:

4-benzyl-5-methyl-1,3-dihydroimidazole-2-thione

InChI:

InChI=1S/C11H12N2S/c1-8-10(13-11(14)12-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,13,14)

InChI Key:

PUBLWZQCQIJQJH-UHFFFAOYSA-N

SMILES:

Sc1nc(c([nH]1)C)Cc1ccccc1

Properties

Complexity:

265

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.291g/mol

Monoisotopic Mass:

204.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101