2-Chlorothioanisole - CAS 17733-22-1
Catalog: |
BB013281 |
Product Name: |
2-Chlorothioanisole |
CAS: |
17733-22-1 |
Synonyms: |
1-chloro-2-methylsulfanylbenzene |
IUPAC Name: | 1-chloro-2-methylsulfanylbenzene |
Description: | 2-Chlorothioanisole (CAS# 17733-22-1) is a useful research chemical. |
Molecular Weight: | 158.65 |
Molecular Formula: | C7H7ClS |
Canonical SMILES: | CSC1=CC=CC=C1Cl |
InChI: | InChI=1S/C7H7ClS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3 |
InChI Key: | IHLDFHCSSCVPQW-UHFFFAOYSA-N |
Boiling Point: | 239-240 °C |
Purity: | 98 % |
Density: | 1.22 g/cm3 |
MDL: | MFCD00040124 |
LogP: | 3.06190 |
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 |
CN-112210278-A | Polyurea spraying elastomer for pipeline corrosion prevention | 20190712 |
WO-2020150675-A1 | Compounds and uses thereof | 20190118 |
EP-3643705-A1 | Pesticidal compounds | 20181024 |
US-2020109141-A1 | Amino acid compounds and methods of use | 20181008 |
Complexity: | 85 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.9956991 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.9956991 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 25.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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