Name: Name:4-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)benzonitrile
Brand: Angene
SKU: AG019PM9
Rating: 90 (10 reviews)

4-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)benzonitrile

CAS No.:

879361-52-1

Catalog Number:

AG019PM9

Molecular Formula:

C15H9N3OS

Molecular Weight:

279.3165

Catalog Number:

AG019PM9

Chemical Name:

4-(4-oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)benzonitrile

CAS Number:

879361-52-1

Molecular Formula:

C15H9N3OS

Molecular Weight:

279.3165

MDL Number:

MFCD08444232

IUPAC Name:

4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzonitrile

InChI:

InChI=1S/C15H9N3OS/c16-9-10-5-7-11(8-6-10)18-14(19)12-3-1-2-4-13(12)17-15(18)20/h1-8H,(H,17,20)

InChI Key:

KXWOFDJBZRJMDJ-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)n1c(S)nc2c(c1=O)cccc2

Complexity:

461

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.317g/mol

Monoisotopic Mass:

279.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5