Name: Name:2-Mercapto-1-methyl-1h-benzimidazole-5-sulfonamide
Brand: Angene
SKU: AG00ICZW
Rating: 90 (10 reviews)

2-Mercapto-1-methyl-1h-benzimidazole-5-sulfonamide

CAS No.:

790271-20-4

Catalog Number:

AG00ICZW

Molecular Formula:

C8H9N3O2S2

Molecular Weight:

243.3060

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Purity

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Product Description

Catalog Number:

AG00ICZW

Chemical Name:

2-Mercapto-1-methyl-1h-benzimidazole-5-sulfonamide

CAS Number:

790271-20-4

Molecular Formula:

C8H9N3O2S2

Molecular Weight:

243.3060

MDL Number:

MFCD06357888

IUPAC Name:

1-methyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide

InChI:

InChI=1S/C8H9N3O2S2/c1-11-7-3-2-5(15(9,12)13)4-6(7)10-8(11)14/h2-4H,1H3,(H,10,14)(H2,9,12,13)

InChI Key:

DERBQFJCXQRUTC-UHFFFAOYSA-N

SMILES:

Cn1c(S)nc2c1ccc(c2)S(=O)(=O)N

Properties

Complexity:

376

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.299g/mol

Monoisotopic Mass:

243.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

116A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1

Literature

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