Name: Name:4-Thiazoleacetonitrile, 2-phenyl-
Brand: Angene
SKU: AG001UVP
Rating: 90 (10 reviews)

4-Thiazoleacetonitrile, 2-phenyl-

CAS No.:

16441-25-1

Catalog Number:

AG001UVP

Molecular Formula:

C11H8N2S

Molecular Weight:

200.2596

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Product Description

Catalog Number:

AG001UVP

Chemical Name:

4-Thiazoleacetonitrile, 2-phenyl-

CAS Number:

16441-25-1

Molecular Formula:

C11H8N2S

Molecular Weight:

200.2596

MDL Number:

MFCD00726791

IUPAC Name:

2-(2-phenyl-1,3-thiazol-4-yl)acetonitrile

InChI:

InChI=1S/C11H8N2S/c12-7-6-10-8-14-11(13-10)9-4-2-1-3-5-9/h1-5,8H,6H2

InChI Key:

KUEZREUCXWHVPK-UHFFFAOYSA-N

SMILES:

N#CCc1csc(n1)c1ccccc1

NSC Number:

11896

Properties

Complexity:

227

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.259g/mol

Monoisotopic Mass:

200.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

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