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Compound Fr12293

CAT: 0931-Fr12293-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12293-02Size:2 mg
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CAS Number
50483-77-7
Bioactivity
Compound Fr12293, with CAS No. 50483-77-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12293 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
Cc1nsc(n1)-c1ccccc1
Molecular Formula
C9H8N2S
Molecular Weight
176.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Methyl-5-phenyl-1,2,4-thiadiazole

3-Methyl-5-phenyl-1,2,4-thiadiazole is a member of benzenes.

CAS Number50483-77-7
PubChem CID2797141
IUPAC Name3-methyl-5-phenyl-1,2,4-thiadiazole
Molecular FormulaC9H8N2S
Molecular Weight176.24
XLogP2.8
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity145
SMILES
CC1=NSC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C9H8N2S/c1-7-10-9(12-11-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
ADYVSGWOTNOSMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methyl-5-phenyl-1,2,4-thiadiazole
CAS: 50483-77-7
CID: 2797141
Formula: C9H8N2S
MW: 176.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.24
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass176.04081944
Monoisotopic Mass176.04081944
Topological Polar Surface Area54 Ų
Heavy Atom Count12
Formal Charge0
Complexity145
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
Fr12298-01Compound Fr12298
Fr12283-01Compound Fr12283
Fr12243-01Compound Fr12243
Fr12239-01Compound Fr12239
Fr13293-01Compound Fr13293
Fr12893-01Compound Fr12893
Fr12693-01Compound Fr12693
Fr12292-01Compound Fr12292
Fr12213-01Compound Fr12213
Fr12193-01Compound Fr12193

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
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

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