Products for Research Use Only
RegisterLogin

Compound Fr12928

CAT: 0931-Fr12928-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-Fr12928-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
41381-89-9
Purity
0.9994
Bioactivity
Compound Fr12928, with CAS No. 41381-89-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12928 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
N#CCC1=NC(=CS1)C1=CC=CC=C1
Molecular Formula
C11H8N2S
Molecular Weight
200.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(4-Phenyl-1,3-thiazol-2-yl)acetonitrile
CAS Number41381-89-9
PubChem CID704539
IUPAC Name2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile
Molecular FormulaC11H8N2S
Molecular Weight200.26
XLogP2.3
Topological Polar Surface Area64.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity227
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)CC#N
InChI
InChI=1S/C11H8N2S/c12-7-6-11-13-10(8-14-11)9-4-2-1-3-5-9/h1-5,8H,6H2
InChIKey
SOFCSIBVJROWGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Phenyl-1,3-thiazol-2-yl)acetonitrile
CAS: 41381-89-9
CID: 704539
Formula: C11H8N2S
MW: 200.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.26
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass200.04081944
Monoisotopic Mass200.04081944
Topological Polar Surface Area64.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity227
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
Fr13928-01Compound Fr13928
Fr12298-01Compound Fr12298
Fr12927-01Compound Fr12927
Fr12925-01Compound Fr12925
Fr12982-01Compound Fr12982
Fr12926-01Compound Fr12926
Fr12921-01Compound Fr12921
Fr12128-01Compound Fr12128
Fr12978-01Compound Fr12978
Fr12924-01Compound Fr12924

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-U00358Compound 2
255023-01Compound 401
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34
MBS3613725-01Compound 3344
MBS3613444-01Compound W
ALX-270-455-M005Compound 15e

Popular Products