Cas no 78140-52-0 (3-(Isothiocyanatomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy)

3-(Isothiocyanatomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy structure
78140-52-0 structure
Product Name:3-(Isothiocyanatomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy
CAS No:78140-52-0
MF:C10H17N2OS
MW:213.319781064987
CID:570946
Update Time:2024-01-30

3-(Isothiocyanatomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy Chemical and Physical Properties

Names and Identifiers

    • 1-Pyrrolidinyloxy,3-(isothiocyanatomethyl)-2,2,5,5-tetramethyl-
    • 3-(Isothiocyanatomethyl)-2,2,5,5-Tetramethyl-1-Pyrrolidinyloxy
    • 1-hydroxy-3-(isothiocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine
    • (1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methanisothiocyanate
    • 2,2,5,5-tetramethyl-3-isothiocyanatomethylpyrrolidine-1-oxyl
    • 3-(ISOTHIOCYANATOMETHYL)-PROXYL
    • 3-(ISOTHIOCYANATOMETHYL)-PROXYL,FREE RADICAL
    • 3-(ISOTHIOCYANATOMETHYL)-PROXYL, 98%, FREE RADICAL
    • 3-(ISOTHIOCYANATOMETHYL)-PROXYL, FREE RADICAL
    • 3-(Isothiocyanatomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy
    • MDL: MFCD00010158
    • Inchi: 1S/C10H17N2OS/c1-9(2)5-8(6-11-7-14)10(3,4)12(9)13/h8H,5-6H2,1-4H3
    • InChI Key: MZPCWCPVLFYVIH-UHFFFAOYSA-N
    • SMILES: C1(CN=C=S)CC(C)(C)N([O])C1(C)C |^1:10|

Computed Properties

  • Exact Mass: 213.10600
  • Monoisotopic Mass: 214.113984
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 269
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 35.8

Experimental Properties

  • Color/Form: Not available
  • Density: 1.1186 (rough estimate)
  • Boiling Point: 322°C at 760 mmHg
  • Flash Point: 113 °C
  • Refractive Index: 1.5650 (estimate)
  • PSA: 47.69000
  • LogP: 2.25170
  • Solubility: Not available

3-(Isothiocyanatomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy Security Information

  • Hazard Category Code: 20/21/22-36/37/38
  • Safety Instruction: S24/25
  • Hazardous Material Identification: Xn
  • Safety Term:24/25
  • Storage Condition:0-6°C

3-(Isothiocyanatomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy Customs Data

  • HS CODE:29339980

3-(Isothiocyanatomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
I903500-2mg
3-(Isothiocyanatomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy
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3-(Isothiocyanatomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy
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3-(Isothiocyanatomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy
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AC39523-10mg
3-(Isothiocyanatomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy
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AC39523-25mg
3-(Isothiocyanatomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy
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