3,4-Dimethylbenzenethiol - CAS 18800-53-8

Catalog:	BB014480
Product Name:	3,4-Dimethylbenzenethiol
CAS:	18800-53-8
Synonyms:	3,4-dimethylbenzenethiol

Technical Data

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Computed Properties

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

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
CN-111822052-A	Preparation method of catalyst obtained by modifying palladium, catalyst and application	20200714
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

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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

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