CAS 56172-24-8 | 3-(2-Mercapto-benzoimidazol-1-yl)-propionitrile | CAS Number 56172-24-8

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56172-24-8 | 3-(2-Mercapto-benzoimidazol-1-yl)-propionitrile

CAS No: 56172-24-8 Catalog No: AG00IA12 MDL No:MFCD02679766

Product Description

Catalog Number:

AG00IA12

Chemical Name:

3-(2-Mercapto-benzoimidazol-1-yl)-propionitrile

CAS Number:

56172-24-8

Molecular Formula:

C10H9N3S

Molecular Weight:

203.2636

MDL Number:

MFCD02679766

IUPAC Name:

3-(2-sulfanylidene-3H-benzimidazol-1-yl)propanenitrile

InChI:

InChI=1S/C10H9N3S/c11-6-3-7-13-9-5-2-1-4-8(9)12-10(13)14/h1-2,4-5H,3,7H2,(H,12,14)

InChI Key:

ZTDPCQYRGYIUJZ-UHFFFAOYSA-N

SMILES:

N#CCCn1c(S)nc2c1cccc2

Properties

Complexity:

280

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.263g/mol

Monoisotopic Mass:

203.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.2A^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
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