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Home Carboxys 2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid

2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid

CAS No.:
70596-36-0
Catalog Number:
AG005TVV
Molecular Formula:
C5H6N2O3S
Molecular Weight:
174.1777
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG005TVV
Chemical Name:
2-Imino-4-oxo-1,3-thiazinane-6-carboxylic acid
CAS Number:
70596-36-0
Molecular Formula:
C5H6N2O3S
Molecular Weight:
174.1777
MDL Number:
MFCD02029591
IUPAC Name:
2-amino-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxylic acid
InChI:
InChI=1S/C5H6N2O3S/c6-5-7-3(8)1-2(11-5)4(9)10/h2H,1H2,(H,9,10)(H2,6,7,8)
InChI Key:
VVWUMKXFIHHFOT-UHFFFAOYSA-N
SMILES:
O=C1NC(=N)SC(C1)C(=O)O
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.01g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
174.174g/mol
Monoisotopic Mass:
174.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties