5-(tert-Butyl)thiophene-2-sulfonyl Chloride - CAS 179400-17-0
Catalog: |
BB013569 |
Product Name: |
5-(tert-Butyl)thiophene-2-sulfonyl Chloride |
CAS: |
179400-17-0 |
Synonyms: |
5-tert-butyl-2-thiophenesulfonyl chloride; 5-tert-butylthiophene-2-sulfonyl chloride |
IUPAC Name: | 5-tert-butylthiophene-2-sulfonyl chloride |
Description: | 5-(tert-Butyl)thiophene-2-sulfonyl Chloride (CAS# 179400-17-0) is a useful research chemical. |
Molecular Weight: | 238.75 |
Molecular Formula: | C8H11ClO2S2 |
Canonical SMILES: | CC(C)(C)C1=CC=C(S1)S(=O)(=O)Cl |
InChI: | InChI=1S/C8H11ClO2S2/c1-8(2,3)6-4-5-7(12-6)13(9,10)11/h4-5H,1-3H3 |
InChI Key: | JWHLHIKHBZVZNS-UHFFFAOYSA-N |
LogP: | 0.00000 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3821947-A1 | Heterocyclic trpml1 agonists | 20191113 |
WO-2021094974-A1 | Heterocyclic trpml1 agonists | 20191113 |
EP-3223822-B1 | Bile acid derivatives as fxr/tgr5 agonists | 20141126 |
US-10208081-B2 | Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof | 20141126 |
US-10696713-B2 | Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof | 20141126 |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.9888996 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.9888996 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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