1,3-Benzothiazole-6-sulfonyl chloride - CAS 181124-40-3
Catalog: |
BB013790 |
Product Name: |
1,3-Benzothiazole-6-sulfonyl chloride |
CAS: |
181124-40-3 |
Synonyms: |
1,3-benzothiazole-6-sulfonyl chloride; 1,3-benzothiazole-6-sulfonyl chloride |
IUPAC Name: | 1,3-benzothiazole-6-sulfonyl chloride |
Description: | 1,3-Benzothiazole-6-sulfonyl chloride (CAS# 181124-40-3) is a compound useful in organic synthesis. |
Molecular Weight: | 233.70 |
Molecular Formula: | C7H4ClNO2S2 |
Canonical SMILES: | C1=CC2=C(C=C1S(=O)(=O)Cl)SC=N2 |
InChI: | InChI=1S/C7H4ClNO2S2/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H |
InChI Key: | XQOLJTWXFUSVOR-UHFFFAOYSA-N |
Boiling Point: | 377 °C at 760 mmHg |
Density: | 1.635 g/cm3 |
MDL: | MFCD03086100 |
LogP: | 3.30460 |
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 |
WO-2021202796-A1 | Pyrrolidine-pyrazoles as pyruvate kinase activators | 20200401 |
EP-3875151-A1 | Alpha-methyl-substituted diazabicyclo [4.3.1] decane derivates for treatment of psychiatric disorders | 20200302 |
WO-2021175848-A1 | Alpha-methyl-substituted diazabicyclo[4.3.1] decane derivates for treatment of psychiatric disorders | 20200302 |
WO-2020257487-A1 | Glycolate oxidase inhibitors for the treatment of disease | 20190619 |
WO-2020061255-A1 | Activating pyruvate kinase r | 20180919 |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.9371984 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.9371984 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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