Name: Name:2H-Imidazole-2-thione, 1,3-dihydro-1-(4-methoxyphenyl)-
Brand: Angene
SKU: AG001ZQV
Rating: 90 (10 reviews)

2H-Imidazole-2-thione, 1,3-dihydro-1-(4-methoxyphenyl)-

CAS No.:

17452-14-1

Catalog Number:

AG001ZQV

Molecular Formula:

C10H10N2OS

Molecular Weight:

206.2642

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Product Description

Catalog Number:

AG001ZQV

Chemical Name:

2H-Imidazole-2-thione, 1,3-dihydro-1-(4-methoxyphenyl)-

CAS Number:

17452-14-1

Molecular Formula:

C10H10N2OS

Molecular Weight:

206.2642

MDL Number:

MFCD00041376

IUPAC Name:

3-(4-methoxyphenyl)-1H-imidazole-2-thione

InChI:

InChI=1S/C10H10N2OS/c1-13-9-4-2-8(3-5-9)12-7-6-11-10(12)14/h2-7H,1H3,(H,11,14)

InChI Key:

LIEBCNQPMNARMP-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)n1cc[nH]c1=S

Properties

Complexity:

247

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

206.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

206.263g/mol

Monoisotopic Mass:

206.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

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

Properties