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Compound Fr12292

CAT: 0931-Fr12292-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12292-02Size:2 mg
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CAS Number
175205-59-1
Bioactivity
Compound Fr12292, with CAS No. 175205-59-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12292 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
Cc1ccc(cc1)-c1ncns1
Molecular Formula
C9H8N2S
Molecular Weight
176.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-(4-Methylphenyl)-1,2,4-thiadiazole
CAS Number175205-59-1
PubChem CID2739677
IUPAC Name5-(4-methylphenyl)-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
Complexity143
SMILES
CC1=CC=C(C=C1)C2=NC=NS2
InChI
InChI=1S/C9H8N2S/c1-7-2-4-8(5-3-7)9-10-6-11-12-9/h2-6H,1H3
InChIKey
AMMKYYUZGBXXKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(4-Methylphenyl)-1,2,4-thiadiazole
CAS: 175205-59-1
CID: 2739677
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
Complexity143
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
Fr12272-01Compound Fr12272
Fr12222-01Compound Fr12222
Fr12492-01Compound Fr12492
Fr12282-01Compound Fr12282
Fr12299-01Compound Fr12299
Fr12297-01Compound Fr12297
Fr12291-01Compound Fr12291
Fr12192-01Compound Fr12192
Fr12294-01Compound Fr12294

Alternative Products

CatalogName
ALX-550-516-M025Compound A
C8444-50Compound C108
C5824-10GPR120 Compound A
A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
HY-14176-01Compound E
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254

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