Di(2-thienyl)acetic acid

HCID 20443CAS 4408-82-6
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Basic information

Standard SMILES
O=C(O)C(c1cccs1)c1cccs1
InChIKey
XOFMKTIZCDSXFR-UHFFFAOYSA-N
Molecular formula
C10H8O2S2
Average molar mass
224.3 g/mol
Monoisotopic mass
223.9965715

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

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

Suppliers7 total

上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳卓越生物医药科技有限公司0755-26050679 18318671572 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]

Related reactions

6 records
New reaction record

Linked notes

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