2,4,6-Triisopropylbenzenesulfonyl hydrazide - CAS 39085-59-1
Catalog: |
BB023833 |
Product Name: |
2,4,6-Triisopropylbenzenesulfonyl hydrazide |
CAS: |
39085-59-1 |
Synonyms: |
2,4,6-tri(propan-2-yl)benzenesulfonohydrazide |
IUPAC Name: | 2,4,6-tri(propan-2-yl)benzenesulfonohydrazide |
Description: | 2,4,6-Triisopropylbenzenesulfonyl hydrazide (CAS# 39085-59-1) is a useful research chemical. |
Molecular Weight: | 298.44 |
Molecular Formula: | C15H26N2O2S |
Canonical SMILES: | CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)NN)C(C)C |
InChI: | InChI=1S/C15H26N2O2S/c1-9(2)12-7-13(10(3)4)15(20(18,19)17-16)14(8-12)11(5)6/h7-11,17H,16H2,1-6H3 |
InChI Key: | UGRVYFQFDZRNMQ-UHFFFAOYSA-N |
Boiling Point: | 396.6 °C at 760 mmHg |
Density: | 1.075 g/cm3 |
MDL: | MFCD00014750 |
LogP: | 5.38080 |
GHS Hazard Statement: | H228 (20%): Flammable solid [Danger Flammable solids] |
Precautionary Statement: | P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
17371070 | 20070413 | Quantum chemical characterization of low-energy states of calicene in the gas phase and in solution | The Journal of organic chemistry |
11597219 | 20011019 | Reaction of arylsulfonylhydrazones of aldehydes with alpha-magnesio sulfones. A novel olefin synthesis | The Journal of organic chemistry |
Complexity: | 381 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.17149925 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.17149925 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 80.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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