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23509-56-0 | 2-Thiazolidinethione, 5-[2-(acetyloxy)ethyl]-4-hydroxy-3,4-dimethyl-
CAS No: 23509-56-0 Catalog No: AG002NG3 MDL No:
Product Description
Catalog Number:
AG002NG3
Chemical Name:
2-Thiazolidinethione, 5-[2-(acetyloxy)ethyl]-4-hydroxy-3,4-dimethyl-
CAS Number:
23509-56-0
Molecular Formula:
C9H15NO3S2
Molecular Weight:
249.3503
IUPAC Name:
2-(4-hydroxy-3,4-dimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetate
InChI:
InChI=1S/C9H15NO3S2/c1-6(11)13-5-4-7-9(2,12)10(3)8(14)15-7/h7,12H,4-5H2,1-3H3
InChI Key:
SOCZEGFQIORQAR-UHFFFAOYSA-N
SMILES:
CC(=O)OCCC1SC(=S)N(C1(C)O)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.343g/mol
Monoisotopic Mass:
249.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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