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Home> Hot Product Listed 2   > 2,4-Thiazolidinedione, 5-(2-thienylmethylene)-
631-61-8 structure

2,4-Thiazolidinedione, 5-(2-thienylmethylene)-

Iupac Name:azanium;acetate
CAS No.:631-61-8
Molecular Weight:77.083
Molecular Formula:C20H33NO2 (isomer)
Names and Identifiers
Synonyms

(5e)-5-(thien-2-ylmethylene)-1,3-thiazolidine-2,4-dione (5e)-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (5e)-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (e)-5-(thiophen-2-ylmethylene)thiazolidine-2,4-dione 5-[(e)-2-thienylmethylidene]-1,3-thiazolane-2,4-dione 8T-0032 AC1LRB3G AKOS000408932 ALBB-030678 HMS1719P03 mfcd00648180 MOLPORT-002-881-275 ZINC12407783

Inchi
InChI=1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3
InChkey
USFZMSVCRYTOJT-UHFFFAOYSA-N
Canonical Smiles
CC(=O)[O-].[NH4+]
Properties
Melting Point
110-112℃
HS Code
29152900
Safety and Handling
Safety Statements
S24/25
Transport
UN 9079
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
CABB GmbH 2011
Clariant SE - CH30 2015
Dr. Paul Lohmann GmbH KG 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:77.083g/mol
  • Molecular Formula:C20H33NO2
  • Compound Is Canonicalized:True
  • Exact Mass:77.048
  • Monoisotopic Mass:77.048
  • Complexity:25.5
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:41.1A^2
  • Heavy Atom Count:5
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADcYBCMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAQAAAAAACAgAACCAAAAAAI AACQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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