2,1,3-Benzothiadiazole - CAS 273-13-2
Catalog: |
BB019525 |
Product Name: |
2,1,3-Benzothiadiazole |
CAS: |
273-13-2 |
Synonyms: |
2-Thia-1,3-diaza-2H-isoindene; 3,4-Benzo-1,2,5-thiadiazole; Benzisothiadiazole; Benzo[1,2,5]thiadiazole; Benzo[c]-1,2,5-thiadiazole; NSC 43636; NSC 679; Piazthiole |
IUPAC Name: | 2,1,3-benzothiadiazole |
Description: | 2,1,3-Benzothiadiazole (CAS# 273-13-2) is a chemical reagent used in the synthesis of supramolecules as well as the synthesis of benzothiadiazole derivatives via cross coupling. |
Molecular Weight: | 136.17 |
Molecular Formula: | C6H4N2S |
Canonical SMILES: | C1=CC2=NSN=C2C=C1 |
InChI: | InChI=1S/C6H4N2S/c1-2-4-6-5(3-1)7-9-8-6/h1-4H |
InChI Key: | PDQRQJVPEFGVRK-UHFFFAOYSA-N |
Boiling Point: | 203°C |
Melting Point: | 43°C |
Purity: | ≥95% |
Density: | 1.368±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | Colorless to White to Pale Yellow Low Melting Solid |
Storage: | Store at RT |
MDL: | MFCD00005809 |
LogP: | 1.69130 |
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 |
CN-113504212-A | Method and device for detecting organic amine in liquid phase, readable storage medium and equipment | 20210802 |
CN-113416196-A | benzothiadiazole-TB compound and synthesis method and application thereof | 20210707 |
CN-113429404-A | Diazosulfide modified imidazole compound and preparation method and application thereof | 20210702 |
AU-2021103773-A4 | A-D-A type benzothiadiazole small molecule and its preparation method and application | 20210701 |
CN-113429383-A | Non-fullerene acceptor material, preparation method and application thereof | 20210616 |
PMID | Publication Date | Title | Journal |
30257071 | 20181106 | Synthesis, Antiviral Activity, and Structure-Activity Relationship of 1,3-Benzodioxolyl Pyrrole-Based Entry Inhibitors Targeting the Phe43 Cavity in HIV-1 gp120 | ChemMedChem |
23044933 | 20121121 | Thiophene fluorination to enhance photovoltaic performance in low band gap donor-acceptor polymers | Chemical communications (Cambridge, England) |
22950622 | 20121010 | Solar cell efficiency, self-assembly, and dipole-dipole interactions of isomorphic narrow-band-gap molecules | Journal of the American Chemical Society |
22893502 | 20120917 | Synthesis and photovoltaic properties of two-dimensional low-bandgap copolymers based on new benzothiadiazole derivatives with different conjugated arylvinylene side chains | Chemistry (Weinheim an der Bergstrasse, Germany) |
22580479 | 20120901 | A conducting polymer with benzothiadiazole unit: cell based biosensing applications and adhesion properties | Colloids and surfaces. B, Biointerfaces |
Complexity: | 95.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.00951931 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.00951931 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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