4-Chlorobenzothiazole - CAS 3048-45-1
Catalog: |
BB020615 |
Product Name: |
4-Chlorobenzothiazole |
CAS: |
3048-45-1 |
Synonyms: |
4-chloro-1,3-benzothiazole; 4-chloro-1,3-benzothiazole |
IUPAC Name: | 4-chloro-1,3-benzothiazole |
Description: | 4-Chlorobenzothiazole (CAS# 3048-45-1) is a useful research chemical. |
Molecular Weight: | 169.63 |
Molecular Formula: | C7H4ClNS |
Canonical SMILES: | C1=CC2=C(C(=C1)Cl)N=CS2 |
InChI: | InChI=1S/C7H4ClNS/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H |
InChI Key: | IFEPGHPDQJOYGG-UHFFFAOYSA-N |
Boiling Point: | 267.824 °C at 760 mmHg |
Density: | 1.435 g/cm3 |
MDL: | MFCD11040158 |
LogP: | 2.94970 |
Publication Number | Title | Priority Date |
WO-2021119808-A1 | Antiviral compounds, compositions and methods of use | 20191216 |
JP-2021516230-A | New anti-mycobacterial heterocyclic amide | 20180228 |
US-2020165519-A1 | Polymerizable liquid crystal composition and retardation plate | 20170609 |
WO-2018119986-A1 | Insulating coating material for use with silicon steel | 20161230 |
JP-2018036516-A | Laminate, transmitted light adjusting material, protective sheet material, spectacle lens and spectacles | 20160831 |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.975298 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.975298 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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