3,4-Dimethylbenzenethiol - CAS 18800-53-8
Catalog: |
BB014480 |
Product Name: |
3,4-Dimethylbenzenethiol |
CAS: |
18800-53-8 |
Synonyms: |
3,4-dimethylbenzenethiol |
IUPAC Name: | 3,4-dimethylbenzenethiol |
Description: | 3,4-Dimethylbenzenethiol (CAS# 18800-53-8) is a useful research chemical. |
Molecular Weight: | 138.23 |
Molecular Formula: | C8H10S |
Canonical SMILES: | CC1=C(C=C(C=C1)S)C |
InChI: | InChI=1S/C8H10S/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3 |
InChI Key: | IDKCKPBAFOIONK-UHFFFAOYSA-N |
Boiling Point: | 218 °C |
Purity: | 98 % |
Density: | 1.027 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00010023 |
LogP: | 2.59210 |
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 |
CN-111808003-A | Preparation method of thioether | 20200803 |
CN-111969249-A | Lithium-sulfur battery electrolyte containing negative electrode protection additive | 20200730 |
CN-111774096-A | Catalyst modified by thiol ligand and preparation method and application thereof | 20200714 |
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CN-111995620-A | Preparation method of 1,3, 4-thiadiazole compound and compound prepared by same | 20200702 |
PMID | Publication Date | Title | Journal |
12502076 | 20030101 | Aqueous photodegradation of fenthion by ultraviolet B irradiation: contribution of singlet oxygen in photodegradation and photochemical hydrolysis | Water research |
Complexity: | 90.6 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.05032149 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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