3,5-Dichlorothioanisole - CAS 68121-46-0

Catalog:	BB033475
Product Name:	3,5-Dichlorothioanisole
CAS:	68121-46-0
Synonyms:	1,3-dichloro-5-methylsulfanylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1,3-dichloro-5-methylsulfanylbenzene
Description:	3,5-Dichlorothioanisole (CAS# 68121-46-0) is a useful research chemical.
Molecular Weight:	193.09
Molecular Formula:	C7H6Cl2S
Canonical SMILES:	CSC1=CC(=CC(=C1)Cl)Cl
InChI:	InChI=1S/C7H6Cl2S/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChI Key:	PSSCMQMQOXVMFG-UHFFFAOYSA-N
Boiling Point:	262-263 °C
Purity:	98 %
Density:	1.349 g/cm³
MDL:	MFCD00870149
LogP:	3.71530

Publication Number	Title	Priority Date
CN-112608257-A	Synthesis method of sulfoxide compound	20201224
EP-3828177-A1	Pyridone compound and agricultural and horticultural fungicide having this as active component	20180725
US-2021120811-A1	Aqueous capsule suspension concentrates containing a herbicidal safener and a pesticidal active substance	20180503
WO-2017087659-A1	Liquid crystal sensor	20151118
US-2020409221-A1	Liquid crystal sensor	20151118

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Related Functional Groups

Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[1879-16-9]
4-Methoxythioanisole

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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:	97.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.9567268
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.9567268
Rotatable Bond Count:	1
Topological Polar Surface Area:	25.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7