Benzothiazole-4-sulfonyl Chloride - CAS 149575-65-5
Catalog: |
BB010426 |
Product Name: |
Benzothiazole-4-sulfonyl Chloride |
CAS: |
149575-65-5 |
Synonyms: |
1,3-benzothiazole-4-sulfonyl chloride; 1,3-benzothiazole-4-sulfonyl chloride |
IUPAC Name: | 1,3-benzothiazole-4-sulfonyl chloride |
Description: | Benzothiazole-4-sulfonyl Chloride (CAS# 149575-65-5) is a compound useful in organic synthesis. |
Molecular Weight: | 233.70 |
Molecular Formula: | C7H4ClNO2S2 |
Canonical SMILES: | C1=CC2=C(C(=C1)S(=O)(=O)Cl)N=CS2 |
InChI: | InChI=1S/C7H4ClNO2S2/c8-13(10,11)6-3-1-2-5-7(6)9-4-12-5/h1-4H |
InChI Key: | IAHKZUNYBBKBDO-UHFFFAOYSA-N |
Boiling Point: | 376.977 °C at 760 mmHg |
Density: | 1.635 g/cm3 |
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 |
AU-2014231564-A1 | Therapeutic compounds and compositions | 20130315 |
AU-2014231564-A2 | Therapeutic compounds and compositions | 20130315 |
AU-2014231564-B2 | Therapeutic compounds and compositions | 20130315 |
CA-2903067-A1 | Therapeutic compounds and compositions | 20130315 |
EP-2970189-A1 | Therapeutic compounds and compositions | 20130315 |
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: | 2.4 |
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