Di(2-thienyl)acetic acid - CAS 4408-82-6
Catalog: |
BB050185 |
Product Name: |
Di(2-thienyl)acetic acid |
CAS: |
4408-82-6 |
Synonyms: |
Di-thiophen-2-yl-acetic acid; 2,2-di(thiophen-2-yl)acetic acid; 2,2-di(2-thienyl)acetic acid; Dithien-2-ylacetic acid; dithiophen-2-ylacetic acid; Bis(2-thienyl)acetic acid; 2,2-bis(thiophen-2-yl)acetic acid; Di-2-thienylacetic acid |
IUPAC Name: | 2,2-dithiophen-2-ylacetic acid |
Description: | Di(2-thienyl)acetic acid (CAS# 4408-82-6 ) is a useful research chemical. |
Molecular Weight: | 224.30 |
Molecular Formula: | C10H8O2S2 |
Canonical SMILES: | C1=CSC(=C1)C(C2=CC=CS2)C(=O)O |
InChI: | InChI=1S/C10H8O2S2/c11-10(12)9(7-3-1-5-13-7)8-4-2-6-14-8/h1-6,9H,(H,11,12) |
InChI Key: | XOFMKTIZCDSXFR-UHFFFAOYSA-N |
Boiling Point: | 375.1±32.0 ℃ (Predicted) |
Melting Point: | 91-94 ℃ |
Purity: | ≥ 95 % |
Density: | 1.404±0.06 g/cm3 (Predicted) |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.99657184 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.99657184 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 93.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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