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100610-68-2,MFCD02186946
Catalog No.:AA0002EB
100610-68-2 | 2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>95%
2 weeks  
$512.00   $359.00
- +
5mg
>95%
2 weeks  
$532.00   $373.00
- +
500mg
>95%
2 weeks  
$555.00   $389.00
- +
1g
>95%
2 weeks  
$630.00   $441.00
- +
5g
>95%
2 weeks  
$1,033.00   $723.00
- +
10g
>95%
2 weeks  
$1,435.00   $1,005.00
- +
25g
>95%
2 weeks  
$2,642.00   $1,849.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0002EB
Chemical Name:
2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid
CAS Number:
100610-68-2
Molecular Formula:
C13H17NO4S
Molecular Weight:
283.3434
MDL Number:
MFCD02186946
IUPAC Name:
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanoic acid
InChI:
InChI=1S/C13H17NO4S/c15-13(16)12(10-11-4-2-1-3-5-11)14-6-8-19(17,18)9-7-14/h1-5,12H,6-10H2,(H,15,16)
InChI Key:
UDDLQGMQPCGTPD-UHFFFAOYSA-N
SMILES:
OC(=O)C(N1CCS(=O)(=O)CC1)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.088g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.342g/mol
Monoisotopic Mass:
283.088g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  

Synonyms
 
100610-68-2 
2-(1,1-Dioxidothiomorpholino)-3-phenylpropanoic acid 
KS-00001R2I 
0235AA 
ANW-55873 
MFCD02186946 
AKOS005069234 
IMED385530811 
dioxolambdathiazinanylphenylpropanoicacid 
MCULE-9052562536 
RP15576 
RTR-000213 
2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-3-phenylpropanoic acid 
SMR000338209 
AX8060697 
TR-000213 
FT-0679947 
10P-208 
I04-5606 
J-505284 
2-(1,1-Dioxo-,4-thiazinan-4-yl)-3-phenylpropanoic acid 
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanoic acid 
2-(1,1-dioxo-1|E6,4-thiomorpholin-4-yl)-3-phenylpropanoic acid 
AC1MCBY2 
2-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-3-phenylpropanoic acid 
2-(1,1-dioxo-1$l^{6},4-thiomorpholin-4-yl)-3-phenylpropanoic acid 
C13H17NO4S 
CID2765893 
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenyl-propanoic Acid 
MLS000755343 
CHEMBL1507484 
CTK8B7005 
DTXSID20377569 
HMS2634I04 
HMS3360L09 
Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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