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Home Carboxys 5-Oxothiomorpholine-3-carboxylic acid

5-Oxothiomorpholine-3-carboxylic acid

CAS No.:
14226-97-2
Catalog Number:
AG001I2H
Molecular Formula:
C5H7NO3S
Molecular Weight:
161.1790
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$120
- +
1g
1 week
United States
$288
- +
5g
1 week
United States
$725
- +
Product Description
Catalog Number:
AG001I2H
Chemical Name:
5-Oxothiomorpholine-3-carboxylic acid
CAS Number:
14226-97-2
Molecular Formula:
C5H7NO3S
Molecular Weight:
161.1790
MDL Number:
MFCD00671711
IUPAC Name:
5-oxothiomorpholine-3-carboxylic acid
InChI:
InChI=1S/C5H7NO3S/c7-4-2-10-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
InChI Key:
ZCITVSIKDJSWSS-UHFFFAOYSA-N
SMILES:
O=C1CSCC(N1)C(=O)O
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.015g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
161.175g/mol
Monoisotopic Mass:
161.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Literature
Title Journal
Characterizing degradation products of peptides containing N-terminal Cys residues by (off-line high-performance liquid chromatography)/matrix-assisted laser desorption/ionization quadrupole time-of-flight measurements. Rapid communications in mass spectrometry : RCM 20030101
Properties