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Compound Fr12307

CAT: 0931-Fr12307-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12307-02Size:25 mg
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CAS Number
17467-15-1
Purity
0.997
Bioactivity
Compound Fr12307, with CAS No. 17467-15-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12307 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
NC1=NC(=NS1)C1=CC=CC=C1
Molecular Formula
C8H7N3S
Molecular Weight
177.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,2,4-Thiadiazol-5-amine, 3-phenyl-
CAS Number17467-15-1
PubChem CID28561
IUPAC Name3-phenyl-1,2,4-thiadiazol-5-amine
Molecular FormulaC8H7N3S
Molecular Weight177.23
XLogP1.3
Topological Polar Surface Area80
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity147
SMILES
C1=CC=C(C=C1)C2=NSC(=N2)N
InChI
InChI=1S/C8H7N3S/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)
InChIKey
OYAHSBDYBOBAAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,4-Thiadiazol-5-amine, 3-phenyl-
CAS: 17467-15-1
CID: 28561
Formula: C8H7N3S
MW: 177.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.23
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass177.03606841
Monoisotopic Mass177.03606841
Topological Polar Surface Area80 Ų
Heavy Atom Count12
Formal Charge0
Complexity147
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
Fr12317-01Compound Fr12317
Fr12302-01Compound Fr12302
Fr12207-01Compound Fr12207
Fr12397-01Compound Fr12397
Fr12387-01Compound Fr12387
Fr12107-01Compound Fr12107
Fr12807-01Compound Fr12807
Fr12370-01Compound Fr12370
Fr13307-01Compound Fr13307
Fr12907-01Compound Fr12907

Alternative Products

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