4-Methyl-1-piperazinesulfonyl Chloride - CAS 1688-95-5
Catalog: |
BB012500 |
Product Name: |
4-Methyl-1-piperazinesulfonyl Chloride |
CAS: |
1688-95-5 |
Synonyms: |
4-methyl-1-piperazinesulfonyl chloride; 4-methylpiperazine-1-sulfonyl chloride |
IUPAC Name: | 4-methylpiperazine-1-sulfonyl chloride |
Description: | 4-Methyl-1-piperazinesulfonyl Chloride (CAS# 1688-95-5) is a useful research chemical. |
Molecular Weight: | 198.67 |
Molecular Formula: | C5H11ClN2O2S |
Canonical SMILES: | CN1CCN(CC1)S(=O)(=O)Cl |
InChI: | InChI=1S/C5H11ClN2O2S/c1-7-2-4-8(5-3-7)11(6,9)10/h2-5H2,1H3 |
InChI Key: | GDYYZWFHNRVHCC-UHFFFAOYSA-N |
Boiling Point: | 282.1 ℃ at 760 mmHg |
Density: | 1.44 g/cm3 |
LogP: | 0.67400 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020215037-A1 | Combination with checkpoint inhibitors to treat cancer | 20190418 |
WO-2020180770-A1 | Bicyclic heterocyclyl compounds and uses thereof | 20190301 |
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CN-108689951-B | Triazole compound and application thereof in agriculture | 20170405 |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.0229765 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.0229765 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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