Products for Research Use Only
RegisterLogin

Compound Fr13535

CAT: 0931-Fr13535-02Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-Fr13535-02Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
282541-90-6
Bioactivity
Compound Fr13535, with CAS No. 282541-90-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13535 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
Fc1cccc(NC(=S)N2CCOCC2)c1
Molecular Formula
C11H13FN2OS
Molecular Weight
240.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(3-fluorophenyl)morpholine-4-carbothioamide
CAS Number282541-90-6
PubChem CID696823
IUPAC NameN-(3-fluorophenyl)morpholine-4-carbothioamide
Molecular FormulaC11H13FN2OS
Molecular Weight240.30
XLogP1.4
Topological Polar Surface Area56.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity246
SMILES
C1COCCN1C(=S)NC2=CC(=CC=C2)F
InChI
InChI=1S/C11H13FN2OS/c12-9-2-1-3-10(8-9)13-11(16)14-4-6-15-7-5-14/h1-3,8H,4-7H2,(H,13,16)
InChIKey
NBJRLUSHKPNWRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-fluorophenyl)morpholine-4-carbothioamide
CAS: 282541-90-6
CID: 696823
Formula: C11H13FN2OS
MW: 240.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.30
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass240.07326238
Monoisotopic Mass240.07326238
Topological Polar Surface Area56.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity246
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
Fr13595-01Compound Fr13595
Fr13585-01Compound Fr13585
Fr13545-01Compound Fr13545
Fr13515-01Compound Fr13515
Fr13525-01Compound Fr13525
Fr13435-01Compound Fr13435
Fr14535-01Compound Fr14535
Fr13835-01Compound Fr13835
Fr13555-01Compound Fr13555
Fr13537-01Compound Fr13537

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