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20461-89-6,MFCD07368267
Catalog No.:AA0029J7

20461-89-6 | 1,3-Dithiane-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$176.00   $123.00
- +
1g
98%(GC)
in stock  
$262.00   $184.00
- +
5g
98%
in stock  
$979.00   $685.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0029J7
Chemical Name:
1,3-Dithiane-2-carboxylic acid
CAS Number:
20461-89-6
Molecular Formula:
C5H8O2S2
Molecular Weight:
164.2458
MDL Number:
MFCD07368267
SMILES:
OC(=O)C1SCCCS1
NSC Number:
193341
Properties
Computed Properties
 
Complexity:
110  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.4  

Downstream Synthesis Route
20461-89-6    1613-96-3   
2-phenyl-3-(4-methoxyphenyl)-5,9-dithia-2-azaspiro3,5nonan-1-one 

[1]Krishnaswamy;Govande;Gumaste;Bhawal;Deshmukh[Tetrahedron,2002,vol.58,#11,p.2215-2225]

20461-89-6    6305-38-0   
N-1,3dithiane-2-carbonyl-L-homoserinelactone 

[1]OrganicandBiomolecularChemistry,2005,vol.3,p.253-262

20461-89-6    349-75-7   
3-(trifluoromethyl)benzyl1,3-dithiane-2-carboxylate 

[1]OrganicLetters,2015,vol.17,p.2326-2329

20461-89-6    6294-17-3   
C11H19ClO2S2 

[1]OrganicLetters,2020,vol.22,p.4000-4005

Literature
Quotation Request
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SDS
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Tags:20461-89-6 Molecular Formula|20461-89-6 MDL|20461-89-6 SMILES|20461-89-6 1,3-Dithiane-2-carboxylic acid
Catalog No.: AA0029J7
20461-89-6,MFCD07368267
20461-89-6 | 1,3-Dithiane-2-carboxylic acid
Pack Size： 250mg
Purity： 95%
in stock
$176.00 $123.00
Pack Size： 1g
Purity： 98%(GC)
in stock
$262.00 $184.00
Pack Size： 5g
Purity： 98%
in stock
$979.00 $685.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA0029J7
Chemical Name: 1,3-Dithiane-2-carboxylic acid
CAS Number: 20461-89-6
Molecular Formula: C5H8O2S2
Molecular Weight: 164.2458
MDL Number: MFCD07368267
SMILES: OC(=O)C1SCCCS1
NSC Number: 193341
Properties
Complexity: 110  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.4  
Downstream Synthesis Route
20461-89-6    1613-96-3   
2-phenyl-3-(4-methoxyphenyl)-5,9-dithia-2-azaspiro3,5nonan-1-one 

[1]Krishnaswamy;Govande;Gumaste;Bhawal;Deshmukh[Tetrahedron,2002,vol.58,#11,p.2215-2225]

20461-89-6    6305-38-0   
N-1,3dithiane-2-carbonyl-L-homoserinelactone 

[1]OrganicandBiomolecularChemistry,2005,vol.3,p.253-262

20461-89-6    349-75-7   
3-(trifluoromethyl)benzyl1,3-dithiane-2-carboxylate 

[1]OrganicLetters,2015,vol.17,p.2326-2329

20461-89-6    6294-17-3   
C11H19ClO2S2 

[1]OrganicLetters,2020,vol.22,p.4000-4005

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