2,2'-Thenil - CAS 7333-07-5

Catalog:	BB034820
Product Name:	2,2'-Thenil
CAS:	7333-07-5
Synonyms:	1,2-dithiophen-2-ylethane-1,2-dione

Technical Data

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Computed Properties

IUPAC Name:	1,2-dithiophen-2-ylethane-1,2-dione
Description:	2,2'-Thenil (CAS# 7333-07-5) is a useful research chemical compound.
Molecular Weight:	222.28
Molecular Formula:	C10H6O2S2
Canonical SMILES:	C1=CSC(=C1)C(=O)C(=O)C2=CC=CS2
InChI:	InChI=1S/C10H6O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H
InChI Key:	UNWKVSDABPCZMK-UHFFFAOYSA-N
Boiling Point:	368.5 °C at 760 mmHg
Density:	1.395 g/cm³
MDL:	MFCD00173678
LogP:	2.87520

Publication Number	Title	Priority Date
CN-111533886-A	Donor-receptor type polymer containing fused ring unit based on quinoxalinebenzotriazole and preparation method and application thereof	20200430
CN-112951998-A	Stretchable organic field effect transistor based on electrode/semiconductor interface modification	20191126
CN-110396092-B	Thiophene-based ruthenium complex as high-efficiency singlet oxygen generation photosensitizer	20190709
WO-2020160148-A1	Small molecule neutral sphingomyelinase 2 (nsmase2) inhibitors	20190129
DE-102017210944-A1	Alcohol dehydrogenases and methods for the stereoselective reduction of carbonyl compounds	20170628

PMID	Publication Date	Title	Journal
21579119	20100414	5,6-Di-2-thienyl-2,3-dihydro-pyrazine	Acta crystallographica. Section E, Structure reports online
19062296	20090101	Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis	Bioorganic & medicinal chemistry
16599701	20060328	Two-dimensional electronic spectra of symmetric dimers: Intermolecular coupling and conformational states	The Journal of chemical physics
16107154	20050825	Inhibition of carboxylesterases by benzil (diphenylethane-1,2-dione) and heterocyclic analogues is dependent upon the aromaticity of the ring and the flexibility of the dione moiety	Journal of medicinal chemistry
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

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Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.98092178
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	221.98092178
Rotatable Bond Count:	3
Topological Polar Surface Area:	90.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9