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Home> Hot Product Listed M   > MOLPORT-005-311-810
31364-82-6 structure

MOLPORT-005-311-810

Iupac Name:2-phenyl-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one
CAS No.:31364-82-6
Molecular Weight:232.30148
Molecular Formula:C10H16O (isomer)
Names and Identifiers
Synonyms

2-(pyrrolidin-1-yl)pyridine-3-carbonitrile hydrochloride 2-pyrrolidin-1-ylnicotinonitrile hydrochloride AC1Q3CED AKOS026730039 CTK7C8907 EN300-31263 KB-118326 MCULE-6158605704 NE14713 Z324553174

Inchi
InChI=1/C12H12N2OS/c15-11-10-7-4-8-13(10)12(16)14(11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
Canonical Smiles
C1CC2C(=O)N(C(=S)N2C1)C3=CC=CC=C3
Properties
Refractive Index
1.711
Computational chemical data
  • Molecular Weight:232.30148g/mol
  • Molecular Formula:C10H16O
  • Exact Mass:232.067034
  • Monoisotopic Mass:232.067034
  • Complexity:325
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:55.6
  • Heavy Atom Count:16
  • 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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