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112544-53-3 | 2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl-
CAS No: 112544-53-3 Catalog No: AG007SZN MDL No:
Product Description
Catalog Number:
AG007SZN
Chemical Name:
2-Thiazolidinethione, 3-butyl-4-hydroxy-4-phenyl-
CAS Number:
112544-53-3
Molecular Formula:
C13H17NOS2
Molecular Weight:
267.4102
IUPAC Name:
3-butyl-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione
InChI:
InChI=1S/C13H17NOS2/c1-2-3-9-14-12(16)17-10-13(14,15)11-7-5-4-6-8-11/h4-8,15H,2-3,9-10H2,1H3
InChI Key:
YXKCLURMLPQKQA-UHFFFAOYSA-N
SMILES:
CCCCN1C(=S)SCC1(O)c1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.405g/mol
Monoisotopic Mass:
267.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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