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182558-48-1

182558-48-1 | 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione

CAS No: 182558-48-1 Catalog No: AG00IN27 MDL No:MFCD00441409

Product Description

Catalog Number:
AG00IN27
Chemical Name:
2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
182558-48-1
Molecular Formula:
C11H6N2O3S2
Molecular Weight:
278.3069
MDL Number:
MFCD00441409
IUPAC Name:
2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)isoindole-1,3-dione
InChI:
InChI=1S/C11H6N2O3S2/c14-8-5-18-11(17)12(8)13-9(15)6-3-1-2-4-7(6)10(13)16/h1-4H,5H2
InChI Key:
GCRBSSLNOAXKCJ-UHFFFAOYSA-N
SMILES:
O=C1CSC(=S)N1N1C(=O)c2c(C1=O)cccc2

Properties

Complexity:
441  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.982g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.3g/mol
Monoisotopic Mass:
277.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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