Products for Research Use Only
RegisterLogin

Compound Fr13401

CAT: 0931-Fr13401-01Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-Fr13401-01Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
26475-66-1
Bioactivity
Compound Fr13401, with CAS No. 26475-66-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13401 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=S1(=O)CCN(CC2=CC=CC=C2)CC1
Molecular Formula
C11H15NO2S
Molecular Weight
225.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Benzylthiomorpholine 1,1-Dioxide
CAS Number26475-66-1
PubChem CID318454
IUPAC Name4-benzyl-1,4-thiazinane 1,1-dioxide
Molecular FormulaC11H15NO2S
Molecular Weight225.31
XLogP1.1
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity274
SMILES
C1CS(=O)(=O)CCN1CC2=CC=CC=C2
InChI
InChI=1S/C11H15NO2S/c13-15(14)8-6-12(7-9-15)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
KFAMTQFKYUXQKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Benzylthiomorpholine 1,1-Dioxide
CAS: 26475-66-1
CID: 318454
Formula: C11H15NO2S
MW: 225.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.31
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass225.08234989
Monoisotopic Mass225.08234989
Topological Polar Surface Area45.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity274
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
Fr14401-01Compound Fr14401
Fr13405-01Compound Fr13405
Fr13001-01Compound Fr13001
Fr12401-01Compound Fr12401
Fr13461-01Compound Fr13461
Fr13431-01Compound Fr13431
Fr13471-01Compound Fr13471
Fr13421-01Compound Fr13421
Fr13201-01Compound Fr13201
Fr13601-01Compound Fr13601

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

Popular Products