Name: Name:2-chloro-6,6-dioxo-5H,7H,8H-6lambda6-thiopyrano[4,3-b]pyridine-3-carbonitrile
Brand: Angene
SKU: AG01DYKI
Rating: 90 (10 reviews)

2-chloro-6,6-dioxo-5H,7H,8H-6lambda6-thiopyrano[4,3-b]pyridine-3-carbonitrile

CAS No.:

1247793-72-1

Catalog Number:

AG01DYKI

Molecular Formula:

C9H7ClN2O2S

Molecular Weight:

242.6821

Catalog Number:

AG01DYKI

Chemical Name:

2-chloro-6,6-dioxo-5H,7H,8H-6lambda6-thiopyrano[4,3-b]pyridine-3-carbonitrile

CAS Number:

1247793-72-1

Molecular Formula:

C9H7ClN2O2S

Molecular Weight:

242.6821

MDL Number:

MFCD16070523

IUPAC Name:

2-chloro-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carbonitrile

InChI:

InChI=1S/C9H7ClN2O2S/c10-9-6(4-11)3-7-5-15(13,14)2-1-8(7)12-9/h3H,1-2,5H2

InChI Key:

TWNJXKWZTKTFTG-UHFFFAOYSA-N

SMILES:

N#Cc1cc2CS(=O)(=O)CCc2nc1Cl

Complexity:

394

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

241.992g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.677g/mol

Monoisotopic Mass:

241.992g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8