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Home Carboxys Ethyl 3-methyl-4h-1,4-benzothiazine-2-carboxylate

Ethyl 3-methyl-4h-1,4-benzothiazine-2-carboxylate

CAS No.:
7625-01-6
Catalog Number:
AG003Q83
Molecular Formula:
C12H13NO2S
Molecular Weight:
235.3021
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG003Q83
Chemical Name:
Ethyl 3-methyl-4h-1,4-benzothiazine-2-carboxylate
CAS Number:
7625-01-6
Molecular Formula:
C12H13NO2S
Molecular Weight:
235.3021
MDL Number:
MFCD00173950
IUPAC Name:
ethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate
InChI:
InChI=1S/C12H13NO2S/c1-3-15-12(14)11-8(2)13-9-6-4-5-7-10(9)16-11/h4-7,13H,3H2,1-2H3
InChI Key:
NCZIRXVLKKERGP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(C)Nc2c(S1)cccc2
UNII:
PQ637VI0V3
NSC Number:
622343
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.067g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.301g/mol
Monoisotopic Mass:
235.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
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