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28824-66-0 | 4-Thiazolidinone, 5-(1,3-benzodioxol-5-ylmethylene)-2-thioxo-
CAS No: 28824-66-0 Catalog No: AG002WOB MDL No:MFCD04969070
Product Description
Catalog Number:
AG002WOB
Chemical Name:
4-Thiazolidinone, 5-(1,3-benzodioxol-5-ylmethylene)-2-thioxo-
CAS Number:
28824-66-0
Molecular Formula:
C11H7NO3S2
Molecular Weight:
265.3082
MDL Number:
MFCD04969070
IUPAC Name:
(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H7NO3S2/c13-10-9(17-11(16)12-10)4-6-1-2-7-8(3-6)15-5-14-7/h1-4H,5H2,(H,12,13,16)/b9-4+
InChI Key:
NGCBEAPNPMOYEM-RUDMXATFSA-N
SMILES:
S=C1NC(=O)C(=Cc2ccc3c(c2)OCO3)S1
NSC Number:
31059
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
264.987g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.301g/mol
Monoisotopic Mass:
264.987g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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