Products for Research Use Only
RegisterLogin

Compound PDK0413

CAT: 0931-PDK0413-02Size: 5 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-PDK0413-02Size:5 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
945-51-7
Bioactivity
Compound PDK0413, with CAS No. 945-51-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0413 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
O=S(c1ccccc1)c1ccccc1
Molecular Formula
C12H10OS
Molecular Weight
202.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Diphenyl sulfoxide

Diphenyl sulfoxide is a sulfoxide.

CAS Number945-51-7
PubChem CID13679
IUPAC Namebenzenesulfinylbenzene
Molecular FormulaC12H10OS
Molecular Weight202.27
XLogP2.1
Topological Polar Surface Area36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity170
SMILES
C1=CC=C(C=C1)S(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H10OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey
JJHHIJFTHRNPIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diphenyl sulfoxide
CAS: 945-51-7
CID: 13679
Formula: C12H10OS
MW: 202.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.27
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass202.04523611
Monoisotopic Mass202.04523611
Topological Polar Surface Area36.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity170
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
PDK0410-01Compound PDK0410
PDK0143-01Compound PDK0143
PDK0419-01Compound PDK0419
PDK0113-01Compound PDK0113
PDK0414-01Compound PDK0414
PDK0313-01Compound PDK0313
PDK0412-01Compound PDK0412
PDK0213-01Compound PDK0213
PDK0013-01Compound PDK0013
PDK0303-01Compound PDK0303

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-14176-01Compound E
255023-01Compound 401
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254
MBS3613444-01Compound W
MBS3613725-01Compound 3344
MBS3613756-01Compound 23

Popular Products