Methyl benzenesulfinate - CAS 670-98-4
Catalog: |
BB033191 |
Product Name: |
Methyl benzenesulfinate |
CAS: |
670-98-4 |
Synonyms: |
methyl benzenesulfinate |
IUPAC Name: | methyl benzenesulfinate |
Description: | Methyl benzenesulfinate (CAS# 670-98-4) is a reagent used in the synthesis of sulfinyl compounds. |
Molecular Weight: | 156.20 |
Molecular Formula: | C7H8O2S |
Canonical SMILES: | COS(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C7H8O2S/c1-9-10(8)7-5-3-2-4-6-7/h2-6H,1H3 |
InChI Key: | PSNSVDSRLUYDKF-UHFFFAOYSA-N |
Boiling Point: | 79-83 °C / 0.3 mmHg |
Density: | 1.194 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00674051 |
LogP: | 2.22130 |
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 |
KR-20210051447-A | Method for preparing deuterated compound | 20191030 |
CN-110373681-A | A kind of electrochemical method for synthesizing of sulfinic acid ester | 20190813 |
WO-2020264490-A1 | Irak degraders and uses thereof | 20190628 |
WO-2020264509-A1 | Compositions and methods for treating cns disorders | 20190627 |
WO-2020264512-A1 | Compounds for treating cns disorders | 20190627 |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.02450067 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.02450067 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 45.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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