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24519-85-5

24519-85-5 | 5H-1,4-Dithiino[2,3-c]pyrrole-5,7(6H)-dione, 2,3-dihydro-

CAS No: 24519-85-5 Catalog No: AG002OEU MDL No:MFCD01632185

Product Description

Catalog Number:
AG002OEU
Chemical Name:
5H-1,4-Dithiino[2,3-c]pyrrole-5,7(6H)-dione, 2,3-dihydro-
CAS Number:
24519-85-5
Molecular Formula:
C6H5NO2S2
Molecular Weight:
187.2394
MDL Number:
MFCD01632185
IUPAC Name:
2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
InChI:
InChI=1S/C6H5NO2S2/c8-5-3-4(6(9)7-5)11-2-1-10-3/h1-2H2,(H,7,8,9)
InChI Key:
XNIVQWHLYNEVBN-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2=C1SCCS2
NSC Number:
179792

Properties

Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.976g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.231g/mol
Monoisotopic Mass:
186.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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