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28824-73-9 | 3-(2H-1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CAS No: 28824-73-9 Catalog No: AG00VT4J MDL No:
Product Description
Catalog Number:
AG00VT4J
Chemical Name:
3-(2H-1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CAS Number:
28824-73-9
Molecular Formula:
C11H9NO3S2
Molecular Weight:
267.3241
IUPAC Name:
3-(1,3-benzodioxol-5-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H9NO3S2/c13-10-5-17-11(16)12(10)4-7-1-2-8-9(3-7)15-6-14-8/h1-3H,4-6H2
InChI Key:
MHSDYAGXVXJMRR-UHFFFAOYSA-N
SMILES:
O=C1CSC(=S)N1Cc1ccc2c(c1)OCO2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.002g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.317g/mol
Monoisotopic Mass:
267.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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