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301298-66-8 | 4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione
CAS No: 301298-66-8 Catalog No: AG00IPLZ MDL No:MFCD00432632
Product Description
Catalog Number:
AG00IPLZ
Chemical Name:
4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione
CAS Number:
301298-66-8
Molecular Formula:
C12H10N2O3S2
Molecular Weight:
294.3494
MDL Number:
MFCD00432632
IUPAC Name:
4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
InChI:
InChI=1S/C12H10N2O3S2/c15-7-4-19-12(18)13(7)14-10(16)8-5-1-2-6(3-5)9(8)11(14)17/h1-2,5-6,8-9H,3-4H2
InChI Key:
ZCUDFBWMQUMDIC-UHFFFAOYSA-N
SMILES:
O=C1C2C3C=CC(C2C(=O)N1N1C(=S)SCC1=O)C3
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.013g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.343g/mol
Monoisotopic Mass:
294.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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