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1199-03-7 | 2,3-Quinoxalinedithione, 1,4-dihydro-
CAS No: 1199-03-7 Catalog No: AG000PU9 MDL No:MFCD00039726
Product Description
Catalog Number:
AG000PU9
Chemical Name:
2,3-Quinoxalinedithione, 1,4-dihydro-
CAS Number:
1199-03-7
Molecular Formula:
C8H6N2S2
Molecular Weight:
194.2766
MDL Number:
MFCD00039726
IUPAC Name:
1,4-dihydroquinoxaline-2,3-dithione
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)
InChI Key:
YFBUDXNMBTUSOC-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2ccccc2[nH]c1=S
EC Number:
214-841-8
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.997g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.27g/mol
Monoisotopic Mass:
193.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Phen-yl(2,4,5-triphenyl-cyclo-penta-1,4-dien-1-yl)methanone. | Acta crystallographica. Section E, Structure reports online 20110701 |
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