2-(Morpholinodithio)benzothiazole

• CAS: 95-32-9
• Catalog Number: ACM95329-1
• Category: Other Products
• Molecular Weight: 284.4
• Molecular Formula: C11H12N2OS3
• Synonyms: 4-(2-Benzothiazolyldithio)morpholine
• IUPAC Name: 4-(1,3-Benzothiazol-2-yldisulfanyl)morpholine
• Canonical SMILES: C1COCCN1SSC2=NC3=CC=CC=C3S2
• InChI: InChI=1S/C11H12N2OS3/c1-2-4-10-9(3-1)12-11(15-10)16-17-13-5-7-14-8-6-13/h1-4H,5-8H2
• InChI Key: QRYFCNPYGUORTK-UHFFFAOYSA-N
• Boiling Point: 455.0±55.0 °C
• Melting Point: 130 °C
• Flash Point: 229ºC
• Density: 1.3762 g/cm3
• Complexity: 251
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 202-410-7
• Exact Mass: 284.01117653
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 284.01117653
• Physical State: Pale yellow powder
• Rotatable Bond Count: 3
• Safety Description: 26-36/37/39
• Topological Polar Surface Area: 104 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0