Compound Fr16668

CAT: 0931-Fr16668-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-Fr16668-01Size:100 mg

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CAS Number

89795-51-7

Bioactivity

Compound Fr16668, with CAS No. 89795-51-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16668 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

OCc1ccc2nsnc2c1

Molecular Formula

C7H6N2OS

Molecular Weight

166.2

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

2,1,3-Benzothiadiazol-5-ylmethanol

CAS Number	89795-51-7
PubChem CID	2776294
IUPAC Name	2,1,3-benzothiadiazol-5-ylmethanol
Molecular Formula	C7H6N2OS
Molecular Weight	166.20
XLogP	0.9
Topological Polar Surface Area	74.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	144

SMILES

C1=CC2=NSN=C2C=C1CO

InChI

InChI=1S/C7H6N2OS/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-3,10H,4H2

InChIKey

XJUBKVSCNJIWMB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 89795-51-7

CID: 2776294

Formula: C7H6N2OS

MW: 166.20

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	166.20
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	166.02008399
Monoisotopic Mass	166.02008399
Topological Polar Surface Area	74.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	144
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
Fr16678-01	Compound Fr16678
Fr16667-01	Compound Fr16667
Fr16666-01	Compound Fr16666
Fr16662-01	Compound Fr16662
Fr16660-01	Compound Fr16660
Fr16658-01	Compound Fr16658
Fr16628-01	Compound Fr16628
Fr16698-01	Compound Fr16698
Fr16669-01	Compound Fr16669
Fr16665-01	Compound Fr16665

Alternative Products

Catalog	Name
ALX-550-516-M025	Compound A
XXC35825-01	Compound 3a
HY-14176-01	Compound E
255023-01	Compound 401
HY-U00358	Compound 2
1898-200	Compound 34
2573-5	Compound 112254
MBS3613444-01	Compound W
MBS3613725-01	Compound 3344
MBS3613756-01	Compound 23

Compound Fr16668

Chemical Information

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