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113340-98-0 | 2-Thiazolidinethione, 5-hydroxy-3-phenyl-5-(1,2,3,4-tetrahydroxybutyl)-
CAS No: 113340-98-0 Catalog No: AG0081YP MDL No:
Product Description
Catalog Number:
AG0081YP
Chemical Name:
2-Thiazolidinethione, 5-hydroxy-3-phenyl-5-(1,2,3,4-tetrahydroxybutyl)-
CAS Number:
113340-98-0
Molecular Formula:
C13H17NO5S2
Molecular Weight:
331.4078
IUPAC Name:
5-hydroxy-3-phenyl-5-(1,2,3,4-tetrahydroxybutyl)-1,3-thiazolidine-2-thione
InChI:
InChI=1S/C13H17NO5S2/c15-6-9(16)10(17)11(18)13(19)7-14(12(20)21-13)8-4-2-1-3-5-8/h1-5,9-11,15-19H,6-7H2
InChI Key:
SBRFXNGIECPTJA-UHFFFAOYSA-N
SMILES:
OCC(C(C(C1(O)CN(C(=S)S1)c1ccccc1)O)O)O
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.055g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
331.401g/mol
Monoisotopic Mass:
331.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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