Products for Research Use Only
RegisterLogin

Compound Fr16660

CAT: 0931-Fr16660-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-Fr16660-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
830330-21-7
Bioactivity
Compound Fr16660, with CAS No. 830330-21-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16660 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
Cl.NCc1cccc2nsnc12
Molecular Formula
C7H8ClN3S
Molecular Weight
201.677
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2,1,3-Benzothiadiazol-4-yl)methanamine hydrochloride
CAS Number830330-21-7
PubChem CID2795208
IUPAC Name2,1,3-benzothiadiazol-4-ylmethanamine;hydrochloride
Molecular FormulaC7H8ClN3S
Molecular Weight201.68
Topological Polar Surface Area80
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity142
SMILES
C1=CC2=NSN=C2C(=C1)CN.Cl
InChI
InChI=1S/C7H7N3S.ClH/c8-4-5-2-1-3-6-7(5)10-11-9-6;/h1-3H,4,8H2;1H
InChIKey
LULBYGUOYLBVFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2,1,3-Benzothiadiazol-4-yl)methanamine hydrochloride
CAS: 830330-21-7
CID: 2795208
Formula: C7H8ClN3S
MW: 201.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.68
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass201.0127461
Monoisotopic Mass201.0127461
Topological Polar Surface Area80 Ų
Heavy Atom Count12
Formal Charge0
Complexity142
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
Fr16668-01Compound Fr16668
Fr16667-01Compound Fr16667
Fr16630-01Compound Fr16630
Fr16690-01Compound Fr16690
Fr16666-01Compound Fr16666
Fr16662-01Compound Fr16662
Fr16620-01Compound Fr16620
Fr16669-01Compound Fr16669
Fr16610-01Compound Fr16610
Fr16665-01Compound Fr16665

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