Catalog No.:AA007FYD

104960-49-8 | 2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile

Name: Name:2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile
Brand: AABLOCKS
SKU: AA007FYD
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Technical Information
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA007FYD

Chemical Name:

2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile

CAS Number:

104960-49-8

Molecular Formula:

C13H7F3N2S

Molecular Weight:

280.2683

MDL Number:

MFCD02180674

SMILES:

N#Cc1c(S)nc(cc1C(F)(F)F)c1ccccc1

Properties

Computed Properties

Complexity:

502

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

2.8

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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