Cas no 898782-40-6 (2-Cyano-4'-thiomorpholinomethyl benzophenone)

2-Cyano-4'-thiomorpholinomethyl benzophenone structure
898782-40-6 structure
Product Name:2-Cyano-4'-thiomorpholinomethyl benzophenone
CAS No:898782-40-6
MF:C19H18N2OS
MW:322.424023151398
MDL:MFCD03841729
CID:868698
PubChem ID:24724504
Update Time:2025-04-19

2-Cyano-4'-thiomorpholinomethyl benzophenone Chemical and Physical Properties

Names and Identifiers

    • 2-[4-(thiomorpholin-4-ylmethyl)benzoyl]benzonitrile
    • 2-CYANO-4'-THIOMORPHOLINOMETHYL BENZOPHENONE
    • DTXSID40642903
    • A916829
    • MFCD03841729
    • AKOS016020144
    • 898782-40-6
    • 2-CYANO-4'-THIOMORPHOLINOMETHYLBENZOPHENONE
    • 2-{4-[(Thiomorpholin-4-yl)methyl]benzoyl}benzonitrile
    • Synephrine hydrochloride
    • 2-Cyano-4'-thiomorpholinomethyl benzophenone
    • MDL: MFCD03841729
    • Inchi: 1S/C19H18N2OS/c20-13-17-3-1-2-4-18(17)19(22)16-7-5-15(6-8-16)14-21-9-11-23-12-10-21/h1-8H,9-12,14H2
    • InChI Key: UZMQNADVVBQFRH-UHFFFAOYSA-N
    • SMILES: S1CCN(CC2C=CC(C(C3C=CC=CC=3C#N)=O)=CC=2)CC1

Computed Properties

  • Exact Mass: 322.11400
  • Monoisotopic Mass: 322.11398438g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 444
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 69.4?2

Experimental Properties

  • PSA: 69.40000
  • LogP: 3.27598

2-Cyano-4'-thiomorpholinomethyl benzophenone Security Information

  • Storage Condition:(BD312688)

2-Cyano-4'-thiomorpholinomethyl benzophenone Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-Cyano-4'-thiomorpholinomethyl benzophenone Pricemore >>

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abcr
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