(1-Cyanocyclopropyl)methyl 4-Methylbenzenesulfonate - CAS 288569-60-8
Catalog: |
BB019992 |
Product Name: |
(1-Cyanocyclopropyl)methyl 4-Methylbenzenesulfonate |
CAS: |
288569-60-8 |
Synonyms: |
4-methylbenzenesulfonic acid (1-cyanocyclopropyl)methyl ester; (1-cyanocyclopropyl)methyl 4-methylbenzenesulfonate |
IUPAC Name: | (1-cyanocyclopropyl)methyl 4-methylbenzenesulfonate |
Description: | (1-Cyanocyclopropyl)methyl 4-Methylbenzenesulfonate (CAS# 288569-60-8 ) is a useful research chemical. |
Molecular Weight: | 251.30 |
Molecular Formula: | C12H13NO3S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OCC2(CC2)C#N |
InChI: | InChI=1S/C12H13NO3S/c1-10-2-4-11(5-3-10)17(14,15)16-9-12(8-13)6-7-12/h2-5H,6-7,9H2,1H3 |
InChI Key: | ZIGSROJSFJRBBT-UHFFFAOYSA-N |
LogP: | 3.08488 |
Publication Number | Title | Priority Date |
WO-2021062089-A1 | Xanthine cb1 inhibitors | 20190925 |
WO-2020228756-A1 | Inhibitor containing bicyclic derivative, preparation method therefor and use thereof | 20190514 |
CN-112368283-A | Bicyclic derivative-containing inhibitor, preparation method and application thereof | 20190514 |
WO-2019045006-A1 | Morphinan derivatives | 20170831 |
JP-WO2019045006-A1 | Morhinan derivative | 20170831 |
Complexity: | 416 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.06161445 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.06161445 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 75.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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