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