Cas no 98493-37-9 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-,hydrochloride (1:1), (6R,7R)-)

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-,hydrochloride (1:1), (6R,7R)- structure
98493-37-9 structure
Product Name:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-,hydrochloride (1:1), (6R,7R)-
CAS No:98493-37-9
MF:C11H13ClN4O3S3
MW:380.893916845322
CID:812341
PubChem ID:44151235
Update Time:2025-04-19

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-,hydrochloride (1:1), (6R,7R)- Chemical and Physical Properties

Names and Identifiers

    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-,hydrochloride (1:1), (6R,7R)-
    • (6R,7S)-7-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,hydrochloride
    • (6R-trans)-7-amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid monohydrochloride
    • DTXSID10243587
    • EINECS 308-781-2
    • (6R-trans)-7-Amino-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid monohydrochloride
    • 98493-37-9
    • Inchi： 1S/C11H12N4O3S3.ClH/c1-4-13-14-11(21-4)20-3-5-2-19-9-6(12)8(16)15(9)7(5)10(17)18;/h6,9H,2-3,12H2,1H3,(H,17,18);1H/t6-,9+;/m0./s1
    • InChI Key： QCGMGZYJJDBFCC-RDNZEXAOSA-N
    • SMILES： Cl.S1CC(CSC2=NN=C(C)S2)=C(C(=O)O)N2C([C@@H]([C@@H]12)N)=O

Computed Properties

  • Exact Mass: 379.984
  • Monoisotopic Mass: 379.984
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 515
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 188A^2

Experimental Properties

  • Boiling Point: 684.1°Cat760mmHg
  • Flash Point: 367.5°C

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-,hydrochloride (1:1), (6R,7R)- Related Literature

98493-37-9 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-,hydrochloride (1:1), (6R,7R)-) Related Products

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