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Home> Hot Product Listed C   > CHEMBL576660
51070-62-3 structure

CHEMBL576660

Iupac Name:4-[(1,1-dioxothiolan-3-yl)amino]butanoic acid
CAS No.:51070-62-3
Molecular Weight:221.271
Molecular Formula:C16H24INO4 (isomer)
Names and Identifiers
Synonyms

1192214-85-9 2-[(5-cyano-1,3-benzothiazol-2-yl)thio]propanoic acid

Inchi
InChI=1S/C8H15NO4S/c10-8(11)2-1-4-9-7-3-5-14(12,13)6-7/h7,9H,1-6H2,(H,10,11)
InChkey
LOYVVYSXUYAYIB-UHFFFAOYSA-N
Canonical Smiles
C1CS(=O)(=O)CC1NCCCC(=O)O
Isomers Smiles
C1CS(=O)(=O)C[C@H]1[NH2+]CCCC(=O)[O-]
Properties
Refractive Index
1.53
Computational chemical data
  • Molecular Weight:221.271g/mol
  • Molecular Formula:C16H24INO4
  • Compound Is Canonicalized:True
  • Exact Mass:221.072
  • Monoisotopic Mass:221.072
  • Complexity:293
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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