N-tert-Butyl 5-Bromo-2-thiophenesulfonamide - CAS 286932-39-6
Catalog: |
BB019911 |
Product Name: |
N-tert-Butyl 5-Bromo-2-thiophenesulfonamide |
CAS: |
286932-39-6 |
Synonyms: |
5-bromo-N-tert-butyl-2-thiophenesulfonamide; 5-bromo-N-tert-butylthiophene-2-sulfonamide |
IUPAC Name: | 5-bromo-N-tert-butylthiophene-2-sulfonamide |
Description: | N-tert-Butyl 5-Bromo-2-thiophenesulfonamide (CAS# 286932-39-6) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 298.22 |
Molecular Formula: | C8H12BrNO2S2 |
Canonical SMILES: | CC(C)(C)NS(=O)(=O)C1=CC=C(S1)Br |
InChI: | InChI=1S/C8H12BrNO2S2/c1-8(2,3)10-14(11,12)7-5-4-6(9)13-7/h4-5,10H,1-3H3 |
InChI Key: | KWUYZYHIQKPORJ-UHFFFAOYSA-N |
Boiling Point: | 366.1 ℃ at 760 mmHg |
Density: | 1.527 g/cm3 |
Appearance: | Light beige crystalline powder |
MDL: | MFCD01569259 |
LogP: | 4.05910 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020102576-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
TW-202033504-A | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
EP-3880659-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
AU-2017289974-A1 | Biarylmethyl heterocycles | 20160629 |
CA-3029630-A1 | Biarylmethyl heterocycles | 20160629 |
Complexity: | 291 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.94928 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.94928 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 82.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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