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Home> Hot Product Listed S   > STOCK6S-86645
382597-97-9 structure

STOCK6S-86645

Iupac Name:5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid
CAS No.:382597-97-9
Molecular Weight:215.227
Molecular Formula:C12H12N2OS2 (isomer)
Names and Identifiers
Synonyms

6-cyclopropyl-3-methyl-n-[3-(propan-2-yloxy)propyl][1,2]oxazolo[5,4-b]pyridine-4-carboxamide 6-cyclopropyl-n-(3-isopropoxypropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide 6-cyclopropyl-n-(3-isopropoxypropyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxamide AKOS005667010 MCULE-3205231456 MOLPORT-008-175-419 STK937264 ZINC35686484

Inchi
InChI=1S/C7H9N3O3S/c11-5(2-1-3-6(12)13)9-7-10-8-4-14-7/h4H,1-3H2,(H,12,13)(H,9,10,11)
InChkey
KQBDWVKXBXRZIC-UHFFFAOYSA-N
Canonical Smiles
C1=NN=C(S1)NC(=O)CCCC(=O)O
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:215.227g/mol
  • Molecular Formula:C12H12N2OS2
  • Compound Is Canonicalized:True
  • Exact Mass:215.036
  • Monoisotopic Mass:215.036
  • Complexity:224
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:86-571-87396430
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  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
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