Name: Name:2-{[(butylsulfanyl)methyl]sulfanyl}-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile
Brand: Angene
SKU: AG01C1X1
Rating: 90 (10 reviews)

2-{[(butylsulfanyl)methyl]sulfanyl}-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile

CAS No.:

371222-47-8

Catalog Number:

AG01C1X1

Molecular Formula:

C21H20N2S3

Molecular Weight:

396.5919

Catalog Number:

AG01C1X1

Chemical Name:

2-{[(butylsulfanyl)methyl]sulfanyl}-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile

CAS Number:

371222-47-8

Molecular Formula:

C21H20N2S3

Molecular Weight:

396.5919

MDL Number:

MFCD02973072

IUPAC Name:

2-(butylsulfanylmethylsulfanyl)-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile

InChI:

InChI=1S/C21H20N2S3/c1-2-3-11-24-15-26-21-18(14-22)17(16-8-5-4-6-9-16)13-19(23-21)20-10-7-12-25-20/h4-10,12-13H,2-3,11,15H2,1H3

InChI Key:

PRCOLPJIDOCMBG-UHFFFAOYSA-N

SMILES:

CCCCSCSc1nc(cc(c1C#N)c1ccccc1)c1cccs1

Complexity:

457

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

396.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

396.585g/mol

Monoisotopic Mass:

396.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

116A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.4