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10225-82-8 | 2-Thiazolidinethione, 3-butyl-5-hydroxy-5-(1,2,3,4-tetrahydroxybutyl)-
CAS No: 10225-82-8 Catalog No: AG00071U MDL No:
Product Description
Catalog Number:
AG00071U
Chemical Name:
2-Thiazolidinethione, 3-butyl-5-hydroxy-5-(1,2,3,4-tetrahydroxybutyl)-
CAS Number:
10225-82-8
Molecular Formula:
C11H21NO5S2
Molecular Weight:
311.4181
IUPAC Name:
3-butyl-5-hydroxy-5-(1,2,3,4-tetrahydroxybutyl)-1,3-thiazolidine-2-thione
InChI:
InChI=1S/C11H21NO5S2/c1-2-3-4-12-6-11(17,19-10(12)18)9(16)8(15)7(14)5-13/h7-9,13-17H,2-6H2,1H3
InChI Key:
HMCZHEDSAVUQSS-UHFFFAOYSA-N
SMILES:
CCCCN1CC(SC1=S)(O)C(C(C(CO)O)O)O
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.086g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
311.411g/mol
Monoisotopic Mass:
311.086g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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