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2,3-Quinoxalinedithiol

CAT: 0013-GTR19254041-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254041-01Size:100 mg
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Description
2,3-Quinoxalinedithiol , with CAS No. 1199-03-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 2,3-Quinoxalinedithiol 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.
CAS Number
1199-03-7
Smiles
SC1=NC2=CC=CC=C2NC1=S
Molecular Formula
C8H6N2S2
Molecular Weight
194.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,3-Quinoxalinedithiol
CAS Number1199-03-7
PubChem CID2735127
IUPAC Name1,4-dihydroquinoxaline-2,3-dithione
Molecular FormulaC8H6N2S2
Molecular Weight194.3
XLogP2.1
Topological Polar Surface Area88.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity203
SMILES
C1=CC=C2C(=C1)NC(=S)C(=S)N2
InChI
InChI=1S/C8H6N2S2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)
InChIKey
YFBUDXNMBTUSOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Quinoxalinedithiol
CAS: 1199-03-7
CID: 2735127
Formula: C8H6N2S2
MW: 194.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.3
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass193.99724055
Monoisotopic Mass193.99724055
Topological Polar Surface Area88.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity203
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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