3,3',3'',3'''-([2,2'-Bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayl)tetrabenzoic acid

HCID 178683073

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2757729-91-0
Standard SMILES: O=C(O)c1cccc(C2=C(c3cccc(C(=O)O)c3)SC(=C3SC(c4cccc(C(=O)O)c4)=C(c4cccc(C(=O)O)c4)S3)S2)c1
InChIKey: XTPIIZCAUUIRCP-UHFFFAOYSA-N
Molecular formula: C34H20O8S4
Average molar mass: 684.8 g/mol
Monoisotopic mass: 684.00410229

Names & identifiers

Preferred name: 3,3',3'',3'''-([2,2'-Bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayl)tetrabenzoic acid
IUPAC: 3-[2-[4,5-bis(3-carboxyphenyl)-1,3-dithiol-2-ylidene]-5-(3-carboxyphenyl)-1,3-dithiol-4-yl]benzoic acid
English name: TTF32
Molecular formula: C34H20O8S4
Molecular weight: 684.77

Names & synonyms

3,3',3'',3'''-([2,2'-bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayl)tetrabenzoic acid2757729-91-03-[2-[4,5-bis(3-carboxyphenyl)-1,3-dithiol-2-ylidene]-5-(3-carboxyphenyl)-1,3-dithiol-4-yl]benzoic acidorb3213249BS-47003F746603,3',3'',3'''-([2,2'-Bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayl)tetrabenzoicacidTTF323,3',3',3''-([2,2'-bis(1,3-dithiolane-2,2-diyl)]-4,4',5,5'-tetrayl)tetraphthalic acid

Database identifiers

CAS: 2757729-91-0
PubChem CID: 154824806

Properties

Computed structural properties

XLogP: 7.2
Topological polar surface area: 250 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 12
Rotatable bonds: 8
Heavy atoms: 46
Formal charge: 0
Complexity: 1,160

Chemistry & industry

Suppliers12 total

深圳睿迅光电材料科技有限公司0755-26718755; 15889762949 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]

吉林中科研伸科技有限公司18143011203 · [email protected]

上海敏寒医药科技有限公司17612188245 · [email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…