Home Carboxys 6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid

6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid

CAS No.:
14226-94-9
Catalog Number:
AG001I2J
Molecular Formula:
C7H11NO3S
Molecular Weight:
189.2321
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG001I2J
Chemical Name:
6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid
CAS Number:
14226-94-9
Molecular Formula:
C7H11NO3S
Molecular Weight:
189.2321
MDL Number:
MFCD02186412
IUPAC Name:
6,6-dimethyl-5-oxothiomorpholine-3-carboxylic acid
InChI:
InChI=1S/C7H11NO3S/c1-7(2)6(11)8-4(3-12-7)5(9)10/h4H,3H2,1-2H3,(H,8,11)(H,9,10)
InChI Key:
GWMBJMYQZAVSRN-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSC(C(=O)N1)(C)C
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.046g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.229g/mol
Monoisotopic Mass:
189.046g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
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
Properties