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23509-75-3 | 2-Thiazolidinethione, 3-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-4-phenyl-
CAS No: 23509-75-3 Catalog No: AG002NGV MDL No:
Product Description
Catalog Number:
AG002NGV
Chemical Name:
2-Thiazolidinethione, 3-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-4-phenyl-
CAS Number:
23509-75-3
Molecular Formula:
C18H19NO3S2
Molecular Weight:
361.4784
IUPAC Name:
3-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione
InChI:
InChI=1S/C18H19NO3S2/c1-21-15-9-8-13(10-16(15)22-2)11-19-17(23)24-12-18(19,20)14-6-4-3-5-7-14/h3-10,20H,11-12H2,1-2H3
InChI Key:
RLQQLCQLNPFOGV-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CN1C(=S)SCC1(O)c1ccccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.081g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.474g/mol
Monoisotopic Mass:
361.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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