Catalog No.:AA0023BK

182127-92-0 | 2-Mercapto-6-methyl-4-(trifluoromethyl)nicotinonitrile

Name: Name:2-Mercapto-6-methyl-4-(trifluoromethyl)nicotinonitrile
Brand: AABLOCKS
SKU: AA0023BK
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Technical Information
Properties
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA0023BK

Chemical Name:

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

CAS Number:

182127-92-0

Molecular Formula:

C8H5F3N2S

Molecular Weight:

218.1989

MDL Number:

MFCD01313795

SMILES:

N#Cc1c(cc([nH]c1=S)C)C(F)(F)F

Properties

Computed Properties

Complexity:

395

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

XLogP3:

1.5

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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