4-(Methylsulfonyl)benzenesulfonyl chloride - CAS 82964-91-8
Catalog: |
BB036944 |
Product Name: |
4-(Methylsulfonyl)benzenesulfonyl chloride |
CAS: |
82964-91-8 |
Synonyms: |
4-methylsulfonylbenzenesulfonyl chloride |
IUPAC Name: | 4-methylsulfonylbenzenesulfonyl chloride |
Description: | 4-(Methylsulfonyl)benzenesulfonyl chloride (CAS# 82964-91-8) is a useful research chemical. |
Molecular Weight: | 254.71 |
Molecular Formula: | C7H7ClO4S2 |
Canonical SMILES: | CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H7ClO4S2/c1-13(9,10)6-2-4-7(5-3-6)14(8,11)12/h2-5H,1H3 |
InChI Key: | TYJOQICPGZGYDT-UHFFFAOYSA-N |
Boiling Point: | 158-163 °C |
Density: | 1.517 g/cm3 |
MDL: | MFCD00216486 |
LogP: | 3.17920 |
GHS Hazard Statement: | H314 (97.78%): 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 |
CN-111763201-A | Benzothiazole compound and medical application thereof | 20200303 |
CN-112812111-A | Benzothiazole compound and medical application thereof | 20200303 |
WO-2021175234-A1 | Benzothiazole compound and medical use | 20200303 |
WO-2021127337-A1 | Trpml modulators | 20191219 |
WO-2021102314-A1 | Trpv4 receptor ligands | 20191121 |
Complexity: | 378 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.9474287 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.9474287 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 85 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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