Methyl p-tolyl sulfide - CAS 623-13-2
Catalog: |
BB031524 |
Product Name: |
Methyl p-tolyl sulfide |
CAS: |
623-13-2 |
Synonyms: |
1-methyl-4-methylsulfanylbenzene |
IUPAC Name: | 1-methyl-4-methylsulfanylbenzene |
Description: | Methyl p-Tolyl Sulfide (CAS# 623-13-2) can be used as a potential for drug interaction mediation by polymorphic flavin-containing monooxygenase 3 in human livers. It can also be used to analyze peroxide in laundry detergents using liquid chromatography. |
Molecular Weight: | 138.23 |
Molecular Formula: | C8H10S |
Canonical SMILES: | CC1=CC=C(C=C1)SC |
InChI: | InChI=1S/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3 |
InChI Key: | VHILIAIEEYLJNA-UHFFFAOYSA-N |
Boiling Point: | 52-54 °C (1 mmHg) |
Purity: | 98 % |
Density: | 1.027 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
MDL: | MFCD00008560 |
LogP: | 2.71690 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021189127-A1 | Method for Forming a Polyarylene Sulfide | 20191220 |
WO-2021126543-A1 | Method for forming a polyarylene sulfide | 20191220 |
US-2021179782-A1 | Powder Bed Fusion Printing System Employing A Polyarylene Sulfide Powder | 20191217 |
US-2021179868-A1 | Three-Dimensional Printing System Employing A Thermally Conductive Polymer Composition | 20191217 |
WO-2021126742-A1 | Powder bed fusion printing system employing a polyarylene sulfide powder | 20191217 |
PMID | Publication Date | Title | Journal |
22927018 | 20121008 | Hybrid polyoxotungstates as functional comonomers in new cross-linked catalytic polymers for sustainable oxidation with hydrogen peroxide | Chemistry (Weinheim an der Bergstrasse, Germany) |
19633839 | 20100101 | Sequence analysis and heterologous expression of a new cytochrome P450 monooxygenase from Rhodococcus sp. for asymmetric sulfoxidation | Applied microbiology and biotechnology |
19429252 | 20090601 | Effect of hyperosmotic conditions on flavin-containing monooxygenase activity, protein and mRNA expression in rat kidney | Toxicology letters |
18508161 | 20090201 | Synthesis and antimicrobial activities of some new triazolothiadiazoles bearing 4-methylthiobenzyl moiety | European journal of medicinal chemistry |
19571433 | 20090101 | Inter-individual variation in flavin-containing monooxygenase 3 in livers from Japanese: correlation with hepatic transcription factors | Drug metabolism and pharmacokinetics |
Complexity: | 72.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.05032149 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.05032149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 25.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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