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10225-80-6 | 2-Thiazolidinethione, 3-ethyl-5-hydroxy-5-(1,2,3,4-tetrahydroxybutyl)-
CAS No: 10225-80-6 Catalog No: AG000710 MDL No:
Product Description
Catalog Number:
AG000710
Chemical Name:
2-Thiazolidinethione, 3-ethyl-5-hydroxy-5-(1,2,3,4-tetrahydroxybutyl)-
CAS Number:
10225-80-6
Molecular Formula:
C9H17NO5S2
Molecular Weight:
283.3650
IUPAC Name:
3-ethyl-5-hydroxy-5-(1,2,3,4-tetrahydroxybutyl)-1,3-thiazolidine-2-thione
InChI:
InChI=1S/C9H17NO5S2/c1-2-10-4-9(15,17-8(10)16)7(14)6(13)5(12)3-11/h5-7,11-15H,2-4H2,1H3
InChI Key:
FVUGRXMMPTYQIA-UHFFFAOYSA-N
SMILES:
OCC(C(C(C1(O)SC(=S)N(C1)CC)O)O)O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
283.357g/mol
Monoisotopic Mass:
283.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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