2,3-Dichlorothiophenol - CAS 17231-95-7
Catalog: |
BB012814 |
Product Name: |
2,3-Dichlorothiophenol |
CAS: |
17231-95-7 |
Synonyms: |
2,3-dichlorobenzenethiol |
IUPAC Name: | 2,3-dichlorobenzenethiol |
Description: | 2,3-Dichlorothiophenol (CAS# 17231-95-7) is a useful research chemical. |
Molecular Weight: | 179.07 |
Molecular Formula: | C6H4Cl2S |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)Cl)S |
InChI: | InChI=1S/C6H4Cl2S/c7-4-2-1-3-5(9)6(4)8/h1-3,9H |
InChI Key: | QGRKONUHHGBHRB-UHFFFAOYSA-N |
Boiling Point: | 96-98 °C (0.5 torr) |
Melting Point: | 54-60 °C |
Purity: | 98 % |
Density: | 1.421 g/cm3 |
Appearance: | White to slightly yellow crystals |
MDL: | MFCD00041420 |
LogP: | 3.28210 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021188890-A1 | Selective valorization of biomass sugars | 20191219 |
WO-2021127642-A1 | Selective valorization of biomass sugars | 20191219 |
WO-2021123506-A1 | Stabile conjugate | 20191218 |
WO-2021073439-A1 | Pyrazine derivative for inhibiting shp2 activity | 20191014 |
WO-2021061515-A1 | Shp2 inhibitors and uses thereof | 20190923 |
PMID | Publication Date | Title | Journal |
21581675 | 20081206 | N-Cyclo-hexyl-2-(2,3-dichloro-phenyl-sulfan-yl)acetamide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 97.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.9410767 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.9410767 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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