3-(Methylsulfonyl)propyl 4-Methylbenzenesulfonate - CAS 263400-88-0
Catalog: |
BB019246 |
Product Name: |
3-(Methylsulfonyl)propyl 4-Methylbenzenesulfonate |
CAS: |
263400-88-0 |
Synonyms: |
4-methylbenzenesulfonic acid 3-methylsulfonylpropyl ester; 3-methylsulfonylpropyl 4-methylbenzenesulfonate |
IUPAC Name: | 3-methylsulfonylpropyl 4-methylbenzenesulfonate |
Description: | 3-(Methylsulfonyl)propyl 4-Methylbenzenesulfonate (CAS# 263400-88-0) is a useful research chemical. |
Molecular Weight: | 292.37 |
Molecular Formula: | C11H16O5S2 |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OCCCS(=O)(=O)C |
InChI: | InChI=1S/C11H16O5S2/c1-10-4-6-11(7-5-10)18(14,15)16-8-3-9-17(2,12)13/h4-7H,3,8-9H2,1-2H3 |
InChI Key: | AXUFUWARAAYMCG-UHFFFAOYSA-N |
LogP: | 3.29660 |
GHS Hazard Statement: | H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] |
Precautionary Statement: | P201, P202, P281, P308+P313, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021083998-A1 | Synthesis of 3-({5-chloro-1-[3-(methylsulfonyl)propyl]-1h-indol-2 yl} methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2h-imidazo[4,5-c]pyridin-2-one | 20191030 |
WO-2021004535-A1 | Cinnolines as inhibitors of hpk 1 | 20190711 |
CN-110770233-A | Fused bicyclic compound and application thereof in medicine | 20170619 |
WO-2018233553-A1 | Fused bicyclic compounds and their application in medicine | 20170619 |
AU-2017309751-A1 | Sulfonamides as GPR40- and GPR120-agonists | 20160809 |
Complexity: | 433 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.04391595 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.04391595 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 94.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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