Products for Research Use Only
RegisterLogin

4- ((4-bromophenyl) thio) benzonitrile

CAT: 0127-OR1093967-01Size: 250 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR1093967-01Size:250 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
79995-40-7
MDL Number
MFCD11546330
Purity
97%
Smiles
C1c (ccc (c1) Sc1ccc (cc1) C#N) Br

Chemical Information

4-((4-Bromophenyl)thio)benZonitrile
CAS Number79995-40-7
PubChem CID43090939
IUPAC Name4-(4-bromophenyl)sulfanylbenzonitrile
Molecular FormulaC13H8BrNS
Molecular Weight290.18
XLogP4.4
Topological Polar Surface Area49.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity256
SMILES
C1=CC(=CC=C1C#N)SC2=CC=C(C=C2)Br
InChI
InChI=1S/C13H8BrNS/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H
InChIKey
YCEKGYNNBKDCNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((4-Bromophenyl)thio)benZonitrile
CAS: 79995-40-7
CID: 43090939
Formula: C13H8BrNS
MW: 290.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.18
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass288.95608
Monoisotopic Mass288.95608
Topological Polar Surface Area49.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity256
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
PC1572-014-[ (Trifluoromethyl) thio]benzonitrile
OR1093999-014- ((4-bromophenyl) sulfonyl) benzonitrile
OR1080009-014-[ (4-Bromophenyl) amino]benzonitrile
OR1079941-014-[[ (4-Chlorophenyl) thio]methyl]benzonitrile
OR11012924-[2- (4-Bromophenyl) ethynyl]benzonitrile
OR1057609-014- ((4-Bromophenyl) thio) aniline hydrochloride
OR1098055-012- ((4-bromophenyl) thio) aniline
OR1064707-012- ((4-Bromophenyl) thio) acetamide
OR1099900-012- ((4-bromophenyl) thio) pyridine
OR10925712- ((4-bromophenyl) thio) acetonitrile

Alternative Products

CatalogName
sc-348954A4-{[ (5-amino-1,3,4-thiadiazol-2-yl) thio]methyl}benzonitrile
FPA82705-012- (((6-Bromo-3H-imidazo[4,5-b]pyridin-2-yl) thio) methyl) benzonitrile
JH6289544-[2- (4-bromophenyl) ethynyl]benzonitrile
sc-2769294-[ (4-bromophenyl) thio]aniline hydrochloride
sc-3152344-[ (4-Bromophenyl) thio]piperidine hydrochloride
sc-2740812-[ (4-bromophenyl) thio]nicotinic acid
sc-3336421-{[ (4-bromophenyl) thio]acetyl}pyrrolidine
sc-2740802-[ (4-bromophenyl) thio]ethanamine hydrochloride
sc-279663N-{4-[ (4-bromophenyl) thio]phenyl}-2-chloroacetamide
864512-20-9-01Benzene, 1-[ (4-bromophenyl) thio]-2-iodo-

Popular Products