Di(2-thienyl)acetic acid
Basic information
- CAS
4408-82-6- Standard SMILES
O=C(O)C(c1cccs1)c1cccs1- InChIKey
XOFMKTIZCDSXFR-UHFFFAOYSA-N- Molecular formula
- C10H8O2S2
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 223.99657184
Names & identifiers
- Preferred name
- Di(2-thienyl)acetic acid
- IUPAC
- 2,2-dithiophen-2-ylacetic acid
- English name
- Bis(2-thienyl)acetic acid
- Molecular formula
- C10H8O2S2
- Molecular weight
- 224.3
Names & synonyms
Di(2-thienyl)acetic acidACETIC ACID, DI-2-THIENYL-2-Thiopheneacetic acid, .alpha.-2-thienyl-Bis(thien-2-yl)acetic acidUK75PFG19KNSC 41633BRN 0011342NSC-41633UNII-UK75PFG19K2-Thiopheneacetic acid, alpha-2-thienyl-DTXSID601960344-19-00-03551 (Beilstein Handbook Reference)
Show more names
dithien-2-ylacetic acidBis(2-thienyl)acetic acid2,2-bis(2-Thienyl)acetic acid2-Thiopheneacetic acid, α-2-thienyl-
.ALPHA.-2-THIENYL-2-THIOPHENEACETIC ACIDRefChem:132459DTXCID70118525ALPHA-2-THIENYL-2-THIOPHENEACETIC ACID2-Thiopheneacetic acid, alpha-2-thienyl-(9CI)4408-82-62,2-di(thiophen-2-yl)acetic acid2,2-bis(thiophen-2-yl)acetic acid
Database identifiers
- CAS
4408-82-6- PubChem CID
- 20443
- DTXSID
DTXSID60196034- UNII
- UK75PFG19K
- Nikkaji
- J54.211C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 91 · 91-94 °C
- Boiling point
- 375.1 · 375.1±32.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- pka
- 3.69 · 3.69±0.10(Predicted)
- FDA UNII
- 75 PFG19K · UK75PFG19K
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
6 records
Compound notes
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