4-(Methanesulfonylamino)benzonitrile - CAS 36268-67-4
Catalog: |
BB022924 |
Product Name: |
4-(Methanesulfonylamino)benzonitrile |
CAS: |
36268-67-4 |
Synonyms: |
N-(4-cyanophenyl)methanesulfonamide; N-(4-cyanophenyl)methanesulfonamide |
IUPAC Name: | N-(4-cyanophenyl)methanesulfonamide |
Description: | 4-(Methanesulfonylamino)benzonitrile (CAS# 36268-67-4) is a useful research chemical. |
Molecular Weight: | 196.23 |
Molecular Formula: | C8H8N2O2S |
Canonical SMILES: | CS(=O)(=O)NC1=CC=C(C=C1)C#N |
InChI: | InChI=1S/C8H8N2O2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h2-5,10H,1H3 |
InChI Key: | BRDHOCVMWSXEHI-UHFFFAOYSA-N |
Boiling Point: | 365.5 °C at 760 mmHg |
Density: | 1.36 g/cm3 |
MDL: | MFCD00204724 |
LogP: | 2.08358 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
14709906 | 20040101 | Establishment of an enzyme-linked immunosorbent assay for measurement of sotalol | Biological & pharmaceutical bulletin |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.03064868 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.03064868 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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