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Compound Fr14065

CAT: 0931-Fr14065-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr14065-02Size:10 mg
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CAS Number
2254-88-8
Bioactivity
Compound Fr14065, with CAS No. 2254-88-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14065 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
Clc1nsc(Cl)n1
Molecular Formula
C2Cl2N2S
Molecular Weight
155.01
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dichloro-1,2,4-thiadiazole
CAS Number2254-88-8
PubChem CID2725055
IUPAC Name3,5-dichloro-1,2,4-thiadiazole
Molecular FormulaC2Cl2N2S
Molecular Weight155.01
XLogP2.7
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity70
SMILES
C1(=NSC(=N1)Cl)Cl
InChI
InChI=1S/C2Cl2N2S/c3-1-5-2(4)7-6-1
InChIKey
CEUHPOVLEQUFCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dichloro-1,2,4-thiadiazole
CAS: 2254-88-8
CID: 2725055
Formula: C2Cl2N2S
MW: 155.01
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight155.01
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass153.9159246
Monoisotopic Mass153.9159246
Topological Polar Surface Area54 Ų
Heavy Atom Count7
Formal Charge0
Complexity70.7
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