Name: Name:3-Phenyl-1,4-diazaspiro[4.4]non-3-ene-2-thione
Brand: AABLOCKS
SKU: AA00IAHO
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00IAHO

Chemical Name: 3-Phenyl-1,4-diazaspiro[4.4]non-3-ene-2-thione

CAS Number: 5955-39-5

Molecular Formula: C13H14N2S

Molecular Weight: 230.3287

MDL Number: MFCD14735619

SMILES: S=C1NC2(N=C1c1ccccc1)CCCC2

Properties

Complexity: 323

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 16

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.5

Literature fold

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

Journal: Bioorganic & medicinal chemistry letters20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

5955-39-5 | 3-Phenyl-1,4-diazaspiro[4.4]non-3-ene-2-thione