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23509-61-7 | 2-Thiazolidinethione, 5-[2-(acetyloxy)ethyl]-3-(3-chlorophenyl)-4-hydroxy-4-methyl-
CAS No: 23509-61-7 Catalog No: AG002NG0 MDL No:
Product Description
Catalog Number:
AG002NG0
Chemical Name:
2-Thiazolidinethione, 5-[2-(acetyloxy)ethyl]-3-(3-chlorophenyl)-4-hydroxy-4-methyl-
CAS Number:
23509-61-7
Molecular Formula:
C14H16ClNO3S2
Molecular Weight:
345.8647
IUPAC Name:
2-[3-(3-chlorophenyl)-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-5-yl]ethyl acetate
InChI:
InChI=1S/C14H16ClNO3S2/c1-9(17)19-7-6-12-14(2,18)16(13(20)21-12)11-5-3-4-10(15)8-11/h3-5,8,12,18H,6-7H2,1-2H3
InChI Key:
ZSITUWXCFFCERL-UHFFFAOYSA-N
SMILES:
CC(=O)OCCC1SC(=S)N(C1(C)O)c1cccc(c1)Cl
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.026g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.856g/mol
Monoisotopic Mass:
345.026g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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