N,N-Bis(2-chloroethyl)methanesulfonamide - CAS 54533-09-4
Catalog: |
BB028709 |
Product Name: |
N,N-Bis(2-chloroethyl)methanesulfonamide |
CAS: |
54533-09-4 |
Synonyms: |
N,N-bis(2-chloroethyl)methanesulfonamide; N,N-bis(2-chloroethyl)methanesulfonamide |
IUPAC Name: | N,N-bis(2-chloroethyl)methanesulfonamide |
Description: | N,N-Bis(2-chloroethyl)methanesulfonamide (CAS# 54533-09-4 ) is a useful research chemical. |
Molecular Weight: | 220.12 |
Molecular Formula: | C5H11Cl2NO2S |
Canonical SMILES: | CS(=O)(=O)N(CCCl)CCCl |
InChI: | InChI=1S/C5H11Cl2NO2S/c1-11(9,10)8(4-2-6)5-3-7/h2-5H2,1H3 |
InChI Key: | HLUTZVACYWYJKO-UHFFFAOYSA-N |
Boiling Point: | 304.8 °C at 760 mmHg |
Density: | 1.357 g/cm3 |
LogP: | 1.80640 |
Publication Number | Title | Priority Date |
EP-3312172-A1 | Aminopyrazole derivatives | 20150617 |
EP-3312172-B1 | Aminopyrazole derivatives useful as src kinase inhibitors | 20150617 |
JP-WO2016204261-A1 | Aminopyrazole derivatives | 20150617 |
US-10479780-B2 | Aminopyrazole derivatives | 20150617 |
US-2018362509-A1 | Aminopyrazole derivatives | 20150617 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.9887552 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.9887552 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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