1,2-Benzisothiazol-...

1,2-Benzisothiazol-3-amine,N-butyl-, 1,1-dioxide 53983-80-5

1,2-Benzisothiazol-3-amine,N-butyl-, 1,1-dioxide 53983-80-5

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

1,2-Benzisothiazol-3-amine,N-butyl-, 1,1-dioxide 53983-80-5 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

【Name】
1,2-Benzisothiazol-3-amine,N-butyl-, 1,1-dioxide
【Iupac name】
N-butyl-1,1-dioxo-1,2-benzothiazol-3-amine
【CAS Registry number】
53983-80-5
【Synonyms】
1,2-Benzisothiazole,3-butylamino-, 1,1-dioxide (6CI)
NSC 331988
【Molecular Formula】
C11H14 N2 O2 S (Products with the same molecular formula)
【Molecular Weight】
238.3061
【Inchi】
InChI=1/C11H14N2O2S/c1-2-3-8-12-11-9-6-4-5-7-10(9)16(14,15)13-11/h4-7H,2-3,8H2,1H3,(H,12,13)
【Canonical SMILES】
CCCCNC1=NS(=O)(=O)C2=CC=CC=C21
Chemical and Physical Properties
【Density】
1.31g/cm3
【Boiling Point】
397.7°Cat760mmHg
【Refractive Index】
1.62
【Flash Point】
194.3°C
【Computed Properties】
Molecular Weight:238.30606 [g/mol]
Molecular Formula:C11H14N2O2S
XLogP3:1.4
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:238.077598
MonoIsotopic Mass:238.077598
Topological Polar Surface Area:66.9
Heavy Atom Count:16
Formal Charge:0
Complexity:370
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:40

 

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