Compound Fr14005

CAT: 0931-Fr14005-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0931-Fr14005-02Size:2 mg

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CAS Number

1457-93-8

Bioactivity

Compound Fr14005, with CAS No. 1457-93-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14005 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

CC1=CC2=NSN=C2C=C1

Molecular Formula

C7H6N2S

Molecular Weight

150.2

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

5-Methyl-2,1,3-benzothiadiazole

5-Methyl-2,1,3-benzothiadiazole is a benzothiadiazole.

CAS Number	1457-93-8
PubChem CID	2781249
IUPAC Name	5-methyl-2,1,3-benzothiadiazole
Molecular Formula	C7H6N2S
Molecular Weight	150.20
XLogP	2.2
Topological Polar Surface Area	54
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	129

SMILES

CC1=CC2=NSN=C2C=C1

InChI

InChI=1S/C7H6N2S/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3

InChIKey

XDQJAYFCPRWDOL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1457-93-8

CID: 2781249

Formula: C7H6N2S

MW: 150.20

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	150.20
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	150.02516937
Monoisotopic Mass	150.02516937
Topological Polar Surface Area	54 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129
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
Fr14045-01	Compound Fr14045
Fr14025-01	Compound Fr14025
Fr14006-01	Compound Fr14006
Fr14505-01	Compound Fr14505
Fr14085-01	Compound Fr14085
Fr13005-01	Compound Fr13005
Fr14004-01	Compound Fr14004
Fr14205-01	Compound Fr14205
Fr14002-01	Compound Fr14002
Fr14075-01	Compound Fr14075

Alternative Products

Catalog	Name
ALX-550-516-M025	Compound A
C8444-50	Compound C108
C5824-10	GPR120 Compound A
A8197-5.1	Compound 56
B7337-5	Compound 401
XXC35825-01	Compound 3a
HY-14176-01	Compound E
HY-U00358	Compound 2
1898-200	Compound 34
2573-5	Compound 112254

Compound Fr14005

Chemical Information

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