Benzo[b]thiophen-2(3H)-one - CAS 496-31-1
Catalog: |
BB073878 |
Product Name: |
Benzo[b]thiophen-2(3H)-one |
CAS: |
496-31-1 |
Synonyms: |
2-Oxo-1-thiaindan; 2-Oxo-2,3-dihydrobenzo[b]thiophene; 2-Mercapto-benzeneacetic Acid γ-(Thio Lactone); Thianaphthen-2-one |
IUPAC Name: | 3H-1-benzothiophen-2-one |
Description: | Benzo[b]thiophen-2(3H)-one is a reactant used in the synthesis of merocyanines dyes. |
Molecular Weight: | 150.2 |
Molecular Formula: | C8H6OS |
Canonical SMILES: | C1C2=CC=CC=C2SC1=O |
InChI: | InChI=1S/C8H6OS/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2 |
InChI Key: | ARTAFUJPRUWRJK-UHFFFAOYSA-N |
Solubility: | DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
Appearance: | Orange to Very Dark Red Solid |
Storage: | 4°C |
References: | Glauert, R. & Mann, F. J. Chem. Soc., 5012 (1952). |
GHS Hazard Statement: | H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.01393598 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.01393598 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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