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Home> Hot Product Listed 2   > 2H-Indeno[5,6-d]thiazole(9CI)
70-47-3 structure

2H-Indeno[5,6-d]thiazole(9CI)

Iupac Name:(2S)-2,4-diamino-4-oxobutanoic acid
CAS No.:70-47-3
Molecular Weight:132.12
Molecular Formula:C8H8O3 (isomer)
Names and Identifiers
Synonyms

2h-indeno[5,6-d][1,3]thiazole 2h-indeno[5,6-d]thiazole 2h-indeno[5,6-d]thiazole (9ci) AKOS030536350 CTK2H6167 DTXSID80663298 KB-172202 PL016489 ZINC45237246

Inchi
InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChkey
DCXYFEDJOCDNAF-REOHCLBHSA-N
Canonical Smiles
C(C(C(=O)O)N)C(=O)N
Properties
Melting Point
235 °C (dec.)(lit.)
Refractive Index
1.4880 (estimate)
Alpha
34.5 o (C=10, 2N HCL)
HS Code
29241900
Safety and Handling
Risk Statements
20/21/22-36/37/38
Safety Statements
24/25-36-26
Transport
UN 2811 6.1 / PGIII
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 10_100 view >
Registered companies:
Registrant / Supplier details Latest dossier received
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:132.12g/mol
  • Molecular Formula:C8H8O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:_3.4
  • Exact Mass:132.053
  • Monoisotopic Mass:132.053
  • Complexity:134
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:106A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQACABAAgAI AAGQGAAAAAAAAAAAAIGAAAACABgAwAAAQAAEEAAAAAAnAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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