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Home Other Building Blocks 1,4-Dithiane-2,5-diol

1,4-Dithiane-2,5-diol

CAS No.:
40018-26-6
Catalog Number:
AG00330D
Molecular Formula:
C4H8O2S2
Molecular Weight:
152.2351
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%(GC)
In Stock USA
United States
$39
- +
100g
98%(GC)
In Stock USA
United States
$76
- +
500g
98%(GC)
In Stock USA
United States
$278
- +
Product Description
Catalog Number:
AG00330D
Chemical Name:
1,4-Dithiane-2,5-diol
CAS Number:
40018-26-6
Molecular Formula:
C4H8O2S2
Molecular Weight:
152.2351
MDL Number:
MFCD00006659
IUPAC Name:
1,4-dithiane-2,5-diol
InChI:
InChI=1S/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2
InChI Key:
YUIOPHXTILULQC-UHFFFAOYSA-N
SMILES:
OC1SCC(SC1)O
EC Number:
254-751-6
NSC Number:
106280
FEMA Number:
3826
Properties
Complexity:
68.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.997g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
152.226g/mol
Monoisotopic Mass:
151.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Hydrogen-bond-mediated cascade reaction involving chalcones: facile synthesis of enantioenriched trisubstituted tetrahydrothiophenes. Organic letters 20120217
Menin-MLL inhibitors reverse oncogenic activity of MLL fusion proteins in leukemia. Nature chemical biology 20120129
(R)-2-(2-Methoxy-phen-yl)-2,5-dihydro-thio-phene-3-carbaldehyde. Acta crystallographica. Section E, Structure reports online 20100201
Properties