Name: Name:4-{2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carbonyl}benzonitrile
Brand: Angene
SKU: AG01BD5M
Rating: 90 (10 reviews)

4-{2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carbonyl}benzonitrile

CAS No.:

1803585-73-0

Catalog Number:

AG01BD5M

Molecular Formula:

C15H12N2OS

Molecular Weight:

268.3336

Catalog Number:

AG01BD5M

Chemical Name:

4-{2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carbonyl}benzonitrile

CAS Number:

1803585-73-0

Molecular Formula:

C15H12N2OS

Molecular Weight:

268.3336

MDL Number:

MFCD28064219

IUPAC Name:

4-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl)benzonitrile

InChI:

InChI=1S/C15H12N2OS/c16-8-9-4-6-10(7-5-9)14(18)13-11-2-1-3-12(11)19-15(13)17/h4-7H,1-3,17H2

InChI Key:

VFLISJHRLQOZKK-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)C(=O)c1c(N)sc2c1CCC2

Complexity:

408

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.334g/mol

Monoisotopic Mass:

268.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6