2-(Benzhydrylthio)acetic Acid - CAS 63547-22-8
Catalog: |
BB032190 |
Product Name: |
2-(Benzhydrylthio)acetic Acid |
CAS: |
63547-22-8 |
Synonyms: |
2-[(diphenylmethyl)thio]acetic acid; 2-benzhydrylsulfanylacetic acid |
IUPAC Name: | 2-benzhydrylsulfanylacetic acid |
Description: | Intermediate in the preparation of Modafinil. |
Molecular Weight: | 258.34 |
Molecular Formula: | C15H14O2S |
Canonical SMILES: | C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)O |
InChI: | InChI=1S/C15H14O2S/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17) |
InChI Key: | HTHFEDOFDBZPRX-UHFFFAOYSA-N |
Boiling Point: | 408.6 °C at 760 mmHg |
Density: | 1.223 g/cm3 |
LogP: | 3.59380 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019105646-A1 | Ion pair catalysis of tungstate and molybdate | 20160322 |
WO-2017164813-A1 | Ion pair catalysis of tungstate and molybdate | 20160322 |
US-10710061-B2 | Ion pair catalysis of tungstate and molybdate | 20160322 |
WO-2017064723-A1 | An improved process for the preparation of armodafinil | 20151012 |
CA-2989243-A1 | Heterocyclic compounds with working memory enhancing activity | 20140813 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.07145086 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.07145086 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 62.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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