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10225-81-7

10225-81-7 | 2-Thiazolidinethione, 5-hydroxy-3-methyl-5-(1,2,3,4-tetrahydroxybutyl)-

CAS No: 10225-81-7 Catalog No: AG00070Z MDL No:

Product Description

Catalog Number:
AG00070Z
Chemical Name:
2-Thiazolidinethione, 5-hydroxy-3-methyl-5-(1,2,3,4-tetrahydroxybutyl)-
CAS Number:
10225-81-7
Molecular Formula:
C8H15NO5S2
Molecular Weight:
269.3384
IUPAC Name:
5-hydroxy-3-methyl-5-(1,2,3,4-tetrahydroxybutyl)-1,3-thiazolidine-2-thione
InChI:
InChI=1S/C8H15NO5S2/c1-9-3-8(14,16-7(9)15)6(13)5(12)4(11)2-10/h4-6,10-14H,2-3H2,1H3
InChI Key:
PJYWOSZGVKJXLI-UHFFFAOYSA-N
SMILES:
OCC(C(C(C1(O)SC(=S)N(C1)C)O)O)O
EC Number:
233-542-3
NSC Number:
151994

Properties

Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.039g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
269.33g/mol
Monoisotopic Mass:
269.039g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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