Ethyl 2-(4-Isothiocyanatophenyl)acetate - CAS 22676-74-0
Catalog: |
BB017707 |
Product Name: |
Ethyl 2-(4-Isothiocyanatophenyl)acetate |
CAS: |
22676-74-0 |
Synonyms: |
2-(4-isothiocyanatophenyl)acetic acid ethyl ester; ethyl 2-(4-isothiocyanatophenyl)acetate |
IUPAC Name: | ethyl 2-(4-isothiocyanatophenyl)acetate |
Description: | Ethyl 2-(4-Isothiocyanatophenyl)acetate (CAS# 22676-74-0 ) is a useful research chemical. |
Molecular Weight: | 221.28 |
Molecular Formula: | C11H11NO2S |
Canonical SMILES: | CCOC(=O)CC1=CC=C(C=C1)N=C=S |
InChI: | InChI=1S/C11H11NO2S/c1-2-14-11(13)7-9-3-5-10(6-4-9)12-8-15/h3-6H,2,7H2,1H3 |
InChI Key: | QEBRCXKNRYGSOR-UHFFFAOYSA-N |
LogP: | 2.52650 |
Publication Number | Title | Priority Date |
US-2010310455-A1 | Heterocyclic Ligands for Integrin Imaging and Therapy | 20060908 |
US-8486370-B2 | Heterocyclic ligands for integrin imaging and therapy | 20060908 |
WO-2008031016-A2 | Heterocyclic ligands for integrin imaging and therapy | 20060908 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.05104977 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.05104977 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 70.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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