Benzyl thioacetimidate hydrochloride - CAS 32894-07-8
Catalog: |
BB021469 |
Product Name: |
Benzyl thioacetimidate hydrochloride |
CAS: |
32894-07-8 |
Synonyms: |
benzyl ethanimidothioate;hydrochloride |
IUPAC Name: | benzyl ethanimidothioate;hydrochloride |
Description: | Benzyl thioacetimidate hydrochloride (CAS# 32894-07-8) is a compound useful in organic synthesis. |
Molecular Weight: | 201.72 |
Molecular Formula: | C9H11NS · HCl |
Canonical SMILES: | CC(=N)SCC1=CC=CC=C1.Cl |
InChI: | InChI=1S/C9H11NS.ClH/c1-8(10)11-7-9-5-3-2-4-6-9;/h2-6,10H,7H2,1H3;1H |
InChI Key: | OVQWHRFBVPDPCD-UHFFFAOYSA-N |
Boiling Point: | 282.5 °C at 760 mmHg |
Melting Point: | 157-161 °C (lit.) |
Purity: | 95 % |
Appearance: | Yellowish crystalline solid |
MDL: | MFCD05865210 |
LogP: | 3.81870 |
GHS Hazard Statement: | H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P280, P305+P351+P338, and P310 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2019233459-A1 | Chemical Synthesis Method of Plesiomonas Shigelloides Serotype O51 O-antigen Oligosaccharide | 20180129 |
WO-2019144508-A1 | Chemical synthesis method for o-antigen oligosaccharide of plesiomonas shigelloides serotype o51 | 20180129 |
US-10851130-B2 | Chemical synthesis method of Plesiomonas shigelloides serotype O51 O-antigen oligosaccharide | 20180129 |
EP-3319966-A1 | Bicyclic heterocyclic compounds as pde2 inhibitors | 20150701 |
EP-3319966-B1 | Bicyclic heterocyclic compounds as pde2 inhibitors | 20150701 |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.0378983 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.0378983 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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