N-(-3-Acetylthiopropyl)phthalimide - CAS 221218-66-2
Catalog: |
BB017398 |
Product Name: |
N-(-3-Acetylthiopropyl)phthalimide |
CAS: |
221218-66-2 |
Synonyms: |
S-[3-(1,3-dioxoisoindol-2-yl)propyl] ethanethioate |
IUPAC Name: | S-[3-(1,3-dioxoisoindol-2-yl)propyl] ethanethioate |
Description: | N-(-3-Acetylthiopropyl)phthalimide (CAS# 221218-66-2 ) is a useful research chemical. |
Molecular Weight: | 263.31 |
Molecular Formula: | C13H13NO3S |
Canonical SMILES: | CC(=O)SCCCN1C(=O)C2=CC=CC=C2C1=O |
InChI: | InChI=1S/C13H13NO3S/c1-9(15)18-8-4-7-14-12(16)10-5-2-3-6-11(10)13(14)17/h2-3,5-6H,4,7-8H2,1H3 |
InChI Key: | QDCSBRSBDZXURK-UHFFFAOYSA-N |
Boiling Point: | 406.1 °C at 760 mmHg |
Density: | 1.311 g/cm3 |
MDL: | MFCD00189168 |
LogP: | 1.89030 |
Publication Number | Title | Priority Date |
US-2020255385-A1 | Hydantoin containing deoxyuridine triphosphatase inhibitors | 20150708 |
AU-2011341441-A1 | Modulators of histone methyltransferase, and methods of use thereof | 20101203 |
CA-2819620-A1 | Modulators of histone methyltransferase, and methods of use thereof | 20101203 |
EP-2646455-A2 | Modulators of histone methyltransferase, and methods of use thereof | 20101203 |
US-2013310333-A1 | Modulators of Histone Methyltransferase, and Methods of Use Thereof | 20101203 |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.06161445 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.06161445 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 79.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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