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ZP7

CAT: 0013-GTR19198506-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198506-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ZP7
CAS Number
1188890-60-9
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Smiles
S (CC (NC1=C (Cl) N=CC=C1) =O) C2=C (N=NS2) C3=C (Br) C=C (Br) C=C3
Molecular Formula
C15H9Br2ClN4OS2
Molecular Weight
520.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2-chloropyridin-3-yl)-2-(4-(2,4-dibromophenyl)-1,2,3-thiadiazol-5-ylthio)acetamide

structure in first source

CAS Number1188890-60-9
PubChem CID44596234
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[4-(2,4-dibromophenyl)thiadiazol-5-yl]sulfanylacetamide
Molecular FormulaC15H9Br2ClN4OS2
Molecular Weight520.7
XLogP5.1
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity467
SMILES
C1=CC(=C(N=C1)Cl)NC(=O)CSC2=C(N=NS2)C3=C(C=C(C=C3)Br)Br
InChI
InChI=1S/C15H9Br2ClN4OS2/c16-8-3-4-9(10(17)6-8)13-15(25-22-21-13)24-7-12(23)20-11-2-1-5-19-14(11)18/h1-6H,7H2,(H,20,23)
InChIKey
PEORKJDYDRSGSQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-chloropyridin-3-yl)-2-(4-(2,4-dibromophenyl)-1,2,3-thiadiazol-5-ylthio)acetamide
CAS: 1188890-60-9
CID: 44596234
Formula: C15H9Br2ClN4OS2
MW: 520.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.7
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass519.82526
Monoisotopic Mass517.82731
Topological Polar Surface Area121 Ų
Heavy Atom Count25
Formal Charge0
Complexity467
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

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