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76397-53-0,MFCD08576652
Catalog No.:AA003IQS
76397-53-0 | 3-Acetylthiazolidine-2-thione
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5g
>98.0%(GC)
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Technical Information
Catalog Number:
AA003IQS
Chemical Name:
3-Acetylthiazolidine-2-thione
CAS Number:
76397-53-0
Molecular Formula:
C5H7NOS2
Molecular Weight:
161.2452
MDL Number:
MFCD08576652
IUPAC Name:
1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
InChI:
InChI=1S/C5H7NOS2/c1-4(7)6-2-3-9-5(6)8/h2-3H2,1H3
InChI Key:
BMOBFBQWISCVKX-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCSC1=S
Properties
Computed Properties
 
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.997g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.237g/mol
Monoisotopic Mass:
160.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
3-Acetylthiazolidine-2-thione 
76397-53-0 
DTXSID10472759 
ANW-36787 
MFCD08576652 
ZINC20309730 
AKOS003382226 
RTR-024465 
VZ26232 
AB1011484 
DB-075128 
A2301 
1-(2-Thioxothiazolidin-3-yl)ethanone 
FT-0702733 
1-(2-Thioxo-1,3-thiazolidin-3-yl)ethanone 
1-(2-Sulfanylidene-1,3-thiazolidin-3-yl)ethan-1-one 
null 
CID11789521 
2-Thiazolidinethione, 3-acetyl- (9CI) 
3-Acetylthiazolidine-2-thion 
1-(2-thioxo-3-thiazolidinyl)Ethanone 
Ethanone,1-(2-thioxo-3-thiazolidinyl)- 
1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone 
SCHEMBL823726 
ACMC-209p39 
CTK5E2903 
Literature

Title: Total synthesis of (-)-hennoxazole A.

Journal: The Journal of organic chemistry 20080104

Title: Highly selective acetate aldol additions using mesityl-substituted chiral auxiliaries.

Journal: Organic letters 20070104

Title: Double diastereoselective acetate aldol reactions with chiral N-acetyl thiazolidinethione reagents.

Journal: The Journal of organic chemistry 20060804

Title: Synthesis of a new N-acetyl thiazolidinethione reagent and its application to a highly selective asymmetric acetate aldol reaction.

Journal: Organic letters 20040902

Title: Highly selective asymmetric acetate aldol reactions of an N-acetyl thiazolidinethione reagent.

Journal: Organic letters 20040108

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