3-Chloro-1lambda6,2-benzothiazole-1,1-dione - CAS 567-19-1
Catalog: |
BB069269 |
Product Name: |
3-Chloro-1lambda6,2-benzothiazole-1,1-dione |
CAS: |
567-19-1 |
Synonyms: |
Pseudosaccharin chloride; 3-Chloro-benzo[d]isothiazole 1,1-dioxide; 3-chlorobenzoisothiazole 1,1-dioxide; 3-Chloro-psi-saccharin; 3-Chloro-1,2-benzisothiazole 1,1-dioxide; 3-Chlorobenzo[d]isothiazole 1,1-dioxide; 3-chloro-1,2-benzothiazole 1,1-dioxide; 1,2-Benzisothiazole, 3-chloro-, 1,1-dioxide |
IUPAC Name: | 3-chloro-1,2-benzothiazole 1,1-dioxide |
Description: | 3-Chloro-1lambda6,2-benzothiazole-1,1-dione (cas# 567-19-1) is a useful research chemical. |
Molecular Weight: | 201.63 |
Molecular Formula: | C7H4NO2SCl |
Canonical SMILES: | C1=CC=C2C(=C1)C(=NS2(=O)=O)Cl |
InChI: | InChI=1S/C7H4ClNO2S/c8-7-5-3-1-2-4-6(5)12(10,11)9-7/h1-4H |
InChI Key: | VBEJRJPHNPIURV-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.9651272 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.9651272 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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