Products for Research Use Only
RegisterLogin

Compound Fr13355

CAT: 0013-GTR19269914-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19269914-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Compound Fr13355, with CAS No. 1174907-03-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13355 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.
CAS Number
1174907-03-9
Smiles
I.CSC1=NCN (Cc2ccccc2) CN1 |t:2|
Molecular Formula
C11H15N3S.HI
Molecular Weight
349.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,2,3,6-Tetrahydro-4-(methylthio)-1-(phenylmethyl)-1,3,5-triazine Hydroiodide
CAS Number1174907-03-9
PubChem CID2806873
IUPAC Name3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine;hydroiodide
Molecular FormulaC11H16IN3S
Molecular Weight349.24
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity224
SMILES
CSC1=NCN(CN1)CC2=CC=CC=C2.I
InChI
InChI=1S/C11H15N3S.HI/c1-15-11-12-8-14(9-13-11)7-10-5-3-2-4-6-10;/h2-6H,7-9H2,1H3,(H,12,13);1H
InChIKey
HJIHGJMBPQDZCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,3,6-Tetrahydro-4-(methylthio)-1-(phenylmethyl)-1,3,5-triazine Hydroiodide
CAS: 1174907-03-9
CID: 2806873
Formula: C11H16IN3S
MW: 349.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.24
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass349.01097
Monoisotopic Mass349.01097
Topological Polar Surface Area52.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity224
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19270012-01Compound Fr13955
GTR19269884-01Compound Fr13155
GTR19269792-01Compound Fr12355
GTR19269926-01Compound Fr13454
GTR19269925-01Compound Fr13453
GTR19269911-01Compound Fr13326
GTR19269910-01Compound Fr13322
GTR19269878-01Compound Fr13125
GTR19269876-01Compound Fr13095
GTR19269872-01Compound Fr13057

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
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090

Popular Products