Name: Name:Ethanethioamide, 2-cyano-2-cyclohexylidene-
Brand: Angene
SKU: AG000YYY
Rating: 90 (10 reviews)

Ethanethioamide, 2-cyano-2-cyclohexylidene-

CAS No.:

129224-53-9

Catalog Number:

AG000YYY

Molecular Formula:

C9H12N2S

Molecular Weight:

180.2700

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Product Description

Catalog Number:

AG000YYY

Chemical Name:

Ethanethioamide, 2-cyano-2-cyclohexylidene-

CAS Number:

129224-53-9

Molecular Formula:

C9H12N2S

Molecular Weight:

180.2700

MDL Number:

MFCD00569790

IUPAC Name:

2-cyano-2-cyclohexylideneethanethioamide

InChI:

InChI=1S/C9H12N2S/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5H2,(H2,11,12)

InChI Key:

ZWPSRIGCBBYTDD-UHFFFAOYSA-N

SMILES:

N#CC(=C1CCCCC1)C(=S)N

Properties

Complexity:

262

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.269g/mol

Monoisotopic Mass:

180.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

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