2-[2-(Aminomethyl)phenylthio]benzyl alcohol - CAS 79467-22-4
Catalog: |
BB036358 |
Product Name: |
2-[2-(Aminomethyl)phenylthio]benzyl alcohol |
CAS: |
79467-22-4 |
Synonyms: |
[2-[2-(aminomethyl)phenyl]sulfanylphenyl]methanol |
IUPAC Name: | [2-[2-(aminomethyl)phenyl]sulfanylphenyl]methanol |
Description: | 2-[2-(Aminomethyl)phenylthio]benzyl alcohol (CAS# 79467-22-4) is a useful synthetic intermediate. It is used to prepare novel semicarbazide-derived inhibitors of human dipeptidyl peptidase I. |
Molecular Weight: | 245.34 |
Molecular Formula: | C14H15NOS |
Canonical SMILES: | C1=CC=C(C(=C1)CN)SC2=CC=CC=C2CO |
InChI: | InChI=1S/C14H15NOS/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8,16H,9-10,15H2 |
InChI Key: | HLAFSNJRKZLMPT-UHFFFAOYSA-N |
Boiling Point: | 384.1 °C at 760 mmHg |
Density: | 1.24 g/cm3 |
MDL: | MFCD00075349 |
LogP: | 3.48910 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021154207-A1 | Inkjet compositions | 20200128 |
WO-2020227646-A1 | Methods and compositions for treating pain | 20190509 |
WO-2020023723-A1 | Method of treating aggression with orexin receptor antagonists | 20180727 |
WO-2020023723-A9 | Method of treating aggression with orexin receptor antagonists | 20180727 |
US-2021169883-A1 | Method of treating aggression with orexin receptor antagonists | 20180727 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.08743528 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.08743528 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 71.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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