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410545-38-9 structure

XDQLPJWKJFFSFI-UHFFFAOYSA-N

Iupac Name:1,2,5-thiadiazepane 1,1-dioxide
CAS No.:410545-38-9
Molecular Weight:150.196
Molecular Formula:C4H10N2O2S (isomer)
1. Names and Identifiers
2. 3D Conformer
3. Properties
3.1 Density
1.222±0.06 g/cm3 (20 ºC 760 Torr)
3.2 Flash Point
126.4±30.1℃
4. Computational chemical data
  • Molecular Weight:150.196g/mol
  • Molecular Formula:C4H10N2O2S
  • Compound Is Canonicalized:True
  • Exact Mass:150.046
  • Monoisotopic Mass:150.046
  • Complexity:170
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:66.6A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjMABAAAAAAAAAAAAAAAAAAAAAAAAAAAAABYAAAAAAAAAAHAQQQAAAAADFQASAAALAAAIA AAAAAHBAAAAAAAAAAIAIAAAAQAAAAAAQAAAAEACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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