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23538-05-8 | 4-Thiazolidinone, 3-[(3,4-dimethoxyphenyl)methyl]-2-thioxo-
CAS No: 23538-05-8 Catalog No: AG002NM3 MDL No:
Product Description
Catalog Number:
AG002NM3
Chemical Name:
4-Thiazolidinone, 3-[(3,4-dimethoxyphenyl)methyl]-2-thioxo-
CAS Number:
23538-05-8
Molecular Formula:
C12H13NO3S2
Molecular Weight:
283.3665
IUPAC Name:
3-[(3,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H13NO3S2/c1-15-9-4-3-8(5-10(9)16-2)6-13-11(14)7-18-12(13)17/h3-5H,6-7H2,1-2H3
InChI Key:
GEAXYSILQKHIOI-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CN1C(=S)SCC1=O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.034g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.36g/mol
Monoisotopic Mass:
283.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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