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Home Carboxys 2-Methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid

2-Methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid

CAS No.:
6577-69-1
Catalog Number:
AG00FE0O
Molecular Formula:
C6H8O3S
Molecular Weight:
160.1909
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$125
- +
250mg
95%
In Stock USA
United States
$182
- +
1g
95%
In Stock USA
United States
$500
- +
5g
95%
In Stock USA
United States
$1438
- +
Product Description
Catalog Number:
AG00FE0O
Chemical Name:
2-Methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid
CAS Number:
6577-69-1
Molecular Formula:
C6H8O3S
Molecular Weight:
160.1909
MDL Number:
MFCD00666851
IUPAC Name:
6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylic acid
InChI:
InChI=1S/C6H8O3S/c1-4-5(6(7)8)10-3-2-9-4/h2-3H2,1H3,(H,7,8)
InChI Key:
JMKSQPHJYIHKQU-UHFFFAOYSA-N
SMILES:
OC(=O)C1=C(C)OCCS1
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.019g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.187g/mol
Monoisotopic Mass:
160.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties